mirror of https://gitlab.com/QEF/q-e.git
Configure for GPUs much simplified
Important note: I don't know when CUSOLVER started to exist and to work. I have assumed Eigensolver for NVHPC v. 19, CUSOLVER for v.2 and later.
This commit is contained in:
Paolo Giannozzi
parent
b1244725c8
commit
f36362edda
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@ -676,16 +676,12 @@ FFLAGS
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F77
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f90rule
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SET_MAKE
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cuda_path
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cuda_extlibs
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cuda_libs
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cuda_fflags
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gpu_runtime
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cuda_cflags
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cuda_runtime
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gpu_arch
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CUDA_LDLIBS
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CUDA_CFLAGS
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NVCCFLAGS
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NVCC
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ldflags
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ld
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cppflags
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@ -773,7 +769,6 @@ with_cuda
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with_cuda_cc
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with_cuda_runtime
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enable_openacc
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enable_cuda_env_check
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with_libxc
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with_libxc_prefix
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with_libxc_include
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@ -797,7 +792,6 @@ LIBS
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CC
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CFLAGS
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CPPFLAGS
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NVCCFLAGS
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F77
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FFLAGS'
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@ -1434,8 +1428,6 @@ Optional Features:
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(default: no)
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--enable-static build static executables if possible (default: no)
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--enable-openacc Enable compilation with OPENACC [default=yes]
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--enable-cuda-env-check The configure script will check CUDA installation
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and report problems [default=no]
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--enable-signals enable signal trapping (default: no)
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Optional Packages:
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@ -1490,8 +1482,6 @@ Some influential environment variables:
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CFLAGS C compiler flags
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CPPFLAGS (Objective) C/C++ preprocessor flags, e.g. -I<include dir> if
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you have headers in a nonstandard directory <include dir>
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NVCCFLAGS Additional nvcc flags (example: NVCCFLAGS="-arch=compute_30
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-code=sm_30")
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F77 Fortran 77 compiler command
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FFLAGS Fortran 77 compiler flags
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@ -1651,52 +1641,6 @@ fi
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} # ac_fn_c_try_compile
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# ac_fn_c_try_link LINENO
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# -----------------------
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# Try to link conftest.$ac_ext, and return whether this succeeded.
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ac_fn_c_try_link ()
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{
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as_lineno=${as_lineno-"$1"} as_lineno_stack=as_lineno_stack=$as_lineno_stack
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rm -f conftest.$ac_objext conftest$ac_exeext
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if { { ac_try="$ac_link"
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case "(($ac_try" in
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*\"* | *\`* | *\\*) ac_try_echo=\$ac_try;;
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*) ac_try_echo=$ac_try;;
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esac
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eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\""
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$as_echo "$ac_try_echo"; } >&5
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(eval "$ac_link") 2>conftest.err
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ac_status=$?
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if test -s conftest.err; then
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grep -v '^ *+' conftest.err >conftest.er1
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cat conftest.er1 >&5
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mv -f conftest.er1 conftest.err
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fi
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$as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5
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test $ac_status = 0; } && {
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test -z "$ac_c_werror_flag" ||
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test ! -s conftest.err
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} && test -s conftest$ac_exeext && {
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test "$cross_compiling" = yes ||
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test -x conftest$ac_exeext
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}; then :
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ac_retval=0
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else
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$as_echo "$as_me: failed program was:" >&5
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sed 's/^/| /' conftest.$ac_ext >&5
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ac_retval=1
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fi
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# Delete the IPA/IPO (Inter Procedural Analysis/Optimization) information
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# created by the PGI compiler (conftest_ipa8_conftest.oo), as it would
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# interfere with the next link command; also delete a directory that is
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# left behind by Apple's compiler. We do this before executing the actions.
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rm -rf conftest.dSYM conftest_ipa8_conftest.oo
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eval $as_lineno_stack; ${as_lineno_stack:+:} unset as_lineno
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as_fn_set_status $ac_retval
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} # ac_fn_c_try_link
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# ac_fn_f77_try_compile LINENO
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# ----------------------------
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# Try to compile conftest.$ac_ext, and return whether this succeeded.
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@ -1826,6 +1770,52 @@ fi
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as_fn_set_status $ac_retval
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} # ac_fn_fc_try_link
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# ac_fn_c_try_link LINENO
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# -----------------------
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# Try to link conftest.$ac_ext, and return whether this succeeded.
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ac_fn_c_try_link ()
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{
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as_lineno=${as_lineno-"$1"} as_lineno_stack=as_lineno_stack=$as_lineno_stack
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rm -f conftest.$ac_objext conftest$ac_exeext
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if { { ac_try="$ac_link"
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case "(($ac_try" in
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*\"* | *\`* | *\\*) ac_try_echo=\$ac_try;;
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*) ac_try_echo=$ac_try;;
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esac
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eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\""
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$as_echo "$ac_try_echo"; } >&5
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(eval "$ac_link") 2>conftest.err
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ac_status=$?
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if test -s conftest.err; then
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grep -v '^ *+' conftest.err >conftest.er1
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cat conftest.er1 >&5
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mv -f conftest.er1 conftest.err
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fi
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$as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5
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test $ac_status = 0; } && {
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test -z "$ac_c_werror_flag" ||
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test ! -s conftest.err
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} && test -s conftest$ac_exeext && {
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test "$cross_compiling" = yes ||
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test -x conftest$ac_exeext
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}; then :
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ac_retval=0
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else
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$as_echo "$as_me: failed program was:" >&5
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sed 's/^/| /' conftest.$ac_ext >&5
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ac_retval=1
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fi
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# Delete the IPA/IPO (Inter Procedural Analysis/Optimization) information
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# created by the PGI compiler (conftest_ipa8_conftest.oo), as it would
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# interfere with the next link command; also delete a directory that is
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# left behind by Apple's compiler. We do this before executing the actions.
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rm -rf conftest.dSYM conftest_ipa8_conftest.oo
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eval $as_lineno_stack; ${as_lineno_stack:+:} unset as_lineno
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as_fn_set_status $ac_retval
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} # ac_fn_c_try_link
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cat >config.log <<_ACEOF
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This file contains any messages produced by compilers while
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running configure, to aid debugging if configure makes a mistake.
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@ -4163,15 +4153,14 @@ test_ldflags="`echo $ldflags | sed 's/\$([^)]*)//g'`"
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# Checking CUDA...
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# Variables
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NVCC=no
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CUDA_CFLAGS=
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CUDA_LDLIBS=
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cuda_path=
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gpu_arch=
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cuda_runtime=
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cuda_cflags=
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cuda_fflags=
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cuda_libs=
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cuda_extlibs=
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# FIXME: currently devxlib is needed also for non-CUDA compilation
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cuda_extlibs=devxlib
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# Provide your CUDA path with this
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@ -4209,18 +4198,12 @@ else
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fi
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# Check whether --enable-cuda-env-check was given.
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if test "${enable_cuda_env_check+set}" = set; then :
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enableval=$enable_cuda_env_check;
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else
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enable_cuda_env_check=no
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fi
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if test "$f90_major_version" -gt 20 || (test "$f90_major_version" -eq 20 && test "$f90_minor_version" -ge 7); then
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# NVHPC v. 20.7 and later
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mMcuda="-cuda -gpu"
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mMcudalib="-cudalib"
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else
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# NVHPC previous to v. 20.7
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mMcuda="-Mcuda"
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mMcudalib="-Mcudalib"
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fi
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@ -4228,7 +4211,7 @@ fi
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if test "x$with_cuda" != "xno"
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then
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# -----------------------------------------
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# Check compiler is PGI
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# Check compiler
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# -----------------------------------------
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ac_ext=${ac_fc_srcext-f}
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ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
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@ -4326,461 +4309,23 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu
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if test "x$have_cudafor" != "xyes"
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then
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as_fn_error $? "You do not have the cudafor module. Are you using a PGI compiler?" "$LINENO" 5
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as_fn_error $? "You do not have the cudafor module. Are you using NVHPC compiler?" "$LINENO" 5
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fi
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# -----------------------------------------
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# Setup CUDA paths
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# Headers and libraries
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# -----------------------------------------
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if test "x$with_cuda" != "xyes"
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then
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#AX_NORMALIZE_PATH([with_cuda], ["/"])
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CUDAPATH="$with_cuda"
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CUDA_CFLAGS+=" -I$with_cuda/include"
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CUDA_LDLIBS+=" -L$with_cuda/lib64"
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else
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{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for /usr/local/cuda/" >&5
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$as_echo_n "checking for /usr/local/cuda/... " >&6; }
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if ${ac_cv_file__usr_local_cuda_+:} false; then :
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$as_echo_n "(cached) " >&6
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else
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test "$cross_compiling" = yes &&
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as_fn_error $? "cannot check for file existence when cross compiling" "$LINENO" 5
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if test -r "/usr/local/cuda/"; then
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ac_cv_file__usr_local_cuda_=yes
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else
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ac_cv_file__usr_local_cuda_=no
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fi
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fi
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{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_file__usr_local_cuda_" >&5
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$as_echo "$ac_cv_file__usr_local_cuda_" >&6; }
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if test "x$ac_cv_file__usr_local_cuda_" = xyes; then :
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CUDAPATH="/usr/local/cuda"
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fi
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{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for /usr/local/cuda/include" >&5
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$as_echo_n "checking for /usr/local/cuda/include... " >&6; }
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if ${ac_cv_file__usr_local_cuda_include+:} false; then :
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$as_echo_n "(cached) " >&6
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else
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test "$cross_compiling" = yes &&
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as_fn_error $? "cannot check for file existence when cross compiling" "$LINENO" 5
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if test -r "/usr/local/cuda/include"; then
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ac_cv_file__usr_local_cuda_include=yes
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else
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ac_cv_file__usr_local_cuda_include=no
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fi
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fi
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{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_file__usr_local_cuda_include" >&5
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$as_echo "$ac_cv_file__usr_local_cuda_include" >&6; }
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if test "x$ac_cv_file__usr_local_cuda_include" = xyes; then :
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CUDA_CFLAGS+=" -I/usr/local/cuda/include"
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else
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CUDA_CFLAGS=""
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fi
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{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for /usr/local/cuda/lib64" >&5
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$as_echo_n "checking for /usr/local/cuda/lib64... " >&6; }
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if ${ac_cv_file__usr_local_cuda_lib64+:} false; then :
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$as_echo_n "(cached) " >&6
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else
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test "$cross_compiling" = yes &&
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as_fn_error $? "cannot check for file existence when cross compiling" "$LINENO" 5
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if test -r "/usr/local/cuda/lib64"; then
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ac_cv_file__usr_local_cuda_lib64=yes
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else
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ac_cv_file__usr_local_cuda_lib64=no
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fi
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fi
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{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_file__usr_local_cuda_lib64" >&5
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$as_echo "$ac_cv_file__usr_local_cuda_lib64" >&6; }
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if test "x$ac_cv_file__usr_local_cuda_lib64" = xyes; then :
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CUDA_LDLIBS+=" -L/usr/local/cuda/lib64"
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fi
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fi
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CUDA_LDLIBS+=" -lcuda -lcudart -lcublas -lcufft"
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# -----------------------------------------
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# Checking for nvcc
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# -----------------------------------------
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# Extract the first word of "nvcc", so it can be a program name with args.
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set dummy nvcc; ac_word=$2
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{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5
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$as_echo_n "checking for $ac_word... " >&6; }
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if ${ac_cv_path_NVCC+:} false; then :
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$as_echo_n "(cached) " >&6
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else
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case $NVCC in
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[\\/]* | ?:[\\/]*)
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ac_cv_path_NVCC="$NVCC" # Let the user override the test with a path.
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;;
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*)
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as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
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as_dummy="$PATH:$CUDAPATH/bin"
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for as_dir in $as_dummy
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do
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IFS=$as_save_IFS
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test -z "$as_dir" && as_dir=.
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for ac_exec_ext in '' $ac_executable_extensions; do
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if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
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ac_cv_path_NVCC="$as_dir/$ac_word$ac_exec_ext"
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$as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5
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break 2
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fi
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done
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done
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IFS=$as_save_IFS
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test -z "$ac_cv_path_NVCC" && ac_cv_path_NVCC="no"
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;;
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esac
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fi
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NVCC=$ac_cv_path_NVCC
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if test -n "$NVCC"; then
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{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $NVCC" >&5
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$as_echo "$NVCC" >&6; }
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else
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{ $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5
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$as_echo "no" >&6; }
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fi
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if test "x$NVCC" = "xno" && test "x$enable_cuda_env_check" = "xyes"
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then
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{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: Cannot find nvcc compiler. To enable CUDA, please add path to
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nvcc in the PATH environment variable and/or specify the path
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where CUDA is installed using: --with-cuda=PATH" >&5
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$as_echo "$as_me: WARNING: Cannot find nvcc compiler. To enable CUDA, please add path to
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nvcc in the PATH environment variable and/or specify the path
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where CUDA is installed using: --with-cuda=PATH" >&2;}
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fi
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# -----------------------------------------
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# Setup nvcc flags
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# -----------------------------------------
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if test x$DEBUG = xtrue
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then
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NVCCFLAGS+=" -g -arch=compute_$with_cuda_cc -code=sm_$with_cuda_cc"
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else
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NVCCFLAGS+=" -O3 -arch=compute_$with_cuda_cc -code=sm_$with_cuda_cc"
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fi
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# -----------------------------------------
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# Check if nvcc works
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# -----------------------------------------
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ac_compile_nvcc=no
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{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether nvcc works" >&5
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$as_echo_n "checking whether nvcc works... " >&6; }
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cat>conftest.cu<<EOF
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__global__ static void test_cuda() {
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const int tid = threadIdx.x;
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const int bid = blockIdx.x;
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__syncthreads();
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}
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EOF
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if test "x$NVCC" != "xno"
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then
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if $NVCC -c $NVCCFLAGS conftest.cu &> /dev/null
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then
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ac_compile_nvcc=yes
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fi
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fi
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rm -f conftest.cu conftest.o
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{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_compile_nvcc" >&5
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$as_echo "$ac_compile_nvcc" >&6; }
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if test "x$ac_compile_nvcc" = "xno" && test "x$enable_cuda_env_check" = "xyes"
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then
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{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: CUDA compiler has problems." >&5
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$as_echo "$as_me: WARNING: CUDA compiler has problems." >&2;}
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fi
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# -----------------------------------------
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# Check for headers and libraries
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# -----------------------------------------
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ax_save_CXXFLAGS="${CXXFLAGS}"
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ax_save_LIBS="${LIBS}"
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FCFLAGS="$CUDA_CFLAGS $CXXFLAGS"
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LIBS="$CUDA_LDLIBS $LIBS"
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|
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# And the header and the lib
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if test "x$enable_cuda_env_check" = "xyes"
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then
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{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for cuInit in -lcuda" >&5
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$as_echo_n "checking for cuInit in -lcuda... " >&6; }
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if ${ac_cv_lib_cuda_cuInit+:} false; then :
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$as_echo_n "(cached) " >&6
|
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else
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ac_check_lib_save_LIBS=$LIBS
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LIBS="-lcuda $LIBS"
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cat confdefs.h - <<_ACEOF >conftest.$ac_ext
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/* end confdefs.h. */
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||||
/* Override any GCC internal prototype to avoid an error.
|
||||
Use char because int might match the return type of a GCC
|
||||
builtin and then its argument prototype would still apply. */
|
||||
#ifdef __cplusplus
|
||||
extern "C"
|
||||
#endif
|
||||
char cuInit ();
|
||||
int
|
||||
main ()
|
||||
{
|
||||
return cuInit ();
|
||||
;
|
||||
return 0;
|
||||
}
|
||||
_ACEOF
|
||||
if ac_fn_c_try_link "$LINENO"; then :
|
||||
ac_cv_lib_cuda_cuInit=yes
|
||||
else
|
||||
ac_cv_lib_cuda_cuInit=no
|
||||
fi
|
||||
rm -f core conftest.err conftest.$ac_objext \
|
||||
conftest$ac_exeext conftest.$ac_ext
|
||||
LIBS=$ac_check_lib_save_LIBS
|
||||
fi
|
||||
{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_lib_cuda_cuInit" >&5
|
||||
$as_echo "$ac_cv_lib_cuda_cuInit" >&6; }
|
||||
if test "x$ac_cv_lib_cuda_cuInit" = xyes; then :
|
||||
cat >>confdefs.h <<_ACEOF
|
||||
#define HAVE_LIBCUDA 1
|
||||
_ACEOF
|
||||
|
||||
LIBS="-lcuda $LIBS"
|
||||
|
||||
else
|
||||
{ { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5
|
||||
$as_echo "$as_me: error: in \`$ac_pwd':" >&2;}
|
||||
as_fn_error $? "Couldn't find libcuda
|
||||
See \`config.log' for more details" "$LINENO" 5; }
|
||||
fi
|
||||
|
||||
{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for cudaMalloc in -lcudart" >&5
|
||||
$as_echo_n "checking for cudaMalloc in -lcudart... " >&6; }
|
||||
if ${ac_cv_lib_cudart_cudaMalloc+:} false; then :
|
||||
$as_echo_n "(cached) " >&6
|
||||
else
|
||||
ac_check_lib_save_LIBS=$LIBS
|
||||
LIBS="-lcudart $LIBS"
|
||||
cat confdefs.h - <<_ACEOF >conftest.$ac_ext
|
||||
/* end confdefs.h. */
|
||||
|
||||
/* Override any GCC internal prototype to avoid an error.
|
||||
Use char because int might match the return type of a GCC
|
||||
builtin and then its argument prototype would still apply. */
|
||||
#ifdef __cplusplus
|
||||
extern "C"
|
||||
#endif
|
||||
char cudaMalloc ();
|
||||
int
|
||||
main ()
|
||||
{
|
||||
return cudaMalloc ();
|
||||
;
|
||||
return 0;
|
||||
}
|
||||
_ACEOF
|
||||
if ac_fn_c_try_link "$LINENO"; then :
|
||||
ac_cv_lib_cudart_cudaMalloc=yes
|
||||
else
|
||||
ac_cv_lib_cudart_cudaMalloc=no
|
||||
fi
|
||||
rm -f core conftest.err conftest.$ac_objext \
|
||||
conftest$ac_exeext conftest.$ac_ext
|
||||
LIBS=$ac_check_lib_save_LIBS
|
||||
fi
|
||||
{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_lib_cudart_cudaMalloc" >&5
|
||||
$as_echo "$ac_cv_lib_cudart_cudaMalloc" >&6; }
|
||||
if test "x$ac_cv_lib_cudart_cudaMalloc" = xyes; then :
|
||||
cat >>confdefs.h <<_ACEOF
|
||||
#define HAVE_LIBCUDART 1
|
||||
_ACEOF
|
||||
|
||||
LIBS="-lcudart $LIBS"
|
||||
|
||||
else
|
||||
{ { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5
|
||||
$as_echo "$as_me: error: in \`$ac_pwd':" >&2;}
|
||||
as_fn_error $? "Couldn't find libcudart
|
||||
See \`config.log' for more details" "$LINENO" 5; }
|
||||
fi
|
||||
|
||||
{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for cublasInit in -lcublas" >&5
|
||||
$as_echo_n "checking for cublasInit in -lcublas... " >&6; }
|
||||
if ${ac_cv_lib_cublas_cublasInit+:} false; then :
|
||||
$as_echo_n "(cached) " >&6
|
||||
else
|
||||
ac_check_lib_save_LIBS=$LIBS
|
||||
LIBS="-lcublas $LIBS"
|
||||
cat confdefs.h - <<_ACEOF >conftest.$ac_ext
|
||||
/* end confdefs.h. */
|
||||
|
||||
/* Override any GCC internal prototype to avoid an error.
|
||||
Use char because int might match the return type of a GCC
|
||||
builtin and then its argument prototype would still apply. */
|
||||
#ifdef __cplusplus
|
||||
extern "C"
|
||||
#endif
|
||||
char cublasInit ();
|
||||
int
|
||||
main ()
|
||||
{
|
||||
return cublasInit ();
|
||||
;
|
||||
return 0;
|
||||
}
|
||||
_ACEOF
|
||||
if ac_fn_c_try_link "$LINENO"; then :
|
||||
ac_cv_lib_cublas_cublasInit=yes
|
||||
else
|
||||
ac_cv_lib_cublas_cublasInit=no
|
||||
fi
|
||||
rm -f core conftest.err conftest.$ac_objext \
|
||||
conftest$ac_exeext conftest.$ac_ext
|
||||
LIBS=$ac_check_lib_save_LIBS
|
||||
fi
|
||||
{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_lib_cublas_cublasInit" >&5
|
||||
$as_echo "$ac_cv_lib_cublas_cublasInit" >&6; }
|
||||
if test "x$ac_cv_lib_cublas_cublasInit" = xyes; then :
|
||||
cat >>confdefs.h <<_ACEOF
|
||||
#define HAVE_LIBCUBLAS 1
|
||||
_ACEOF
|
||||
|
||||
LIBS="-lcublas $LIBS"
|
||||
|
||||
else
|
||||
{ { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5
|
||||
$as_echo "$as_me: error: in \`$ac_pwd':" >&2;}
|
||||
as_fn_error $? "Couldn't find libcublas
|
||||
See \`config.log' for more details" "$LINENO" 5; }
|
||||
fi
|
||||
|
||||
{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for cufftPlanMany in -lcufft" >&5
|
||||
$as_echo_n "checking for cufftPlanMany in -lcufft... " >&6; }
|
||||
if ${ac_cv_lib_cufft_cufftPlanMany+:} false; then :
|
||||
$as_echo_n "(cached) " >&6
|
||||
else
|
||||
ac_check_lib_save_LIBS=$LIBS
|
||||
LIBS="-lcufft $LIBS"
|
||||
cat confdefs.h - <<_ACEOF >conftest.$ac_ext
|
||||
/* end confdefs.h. */
|
||||
|
||||
/* Override any GCC internal prototype to avoid an error.
|
||||
Use char because int might match the return type of a GCC
|
||||
builtin and then its argument prototype would still apply. */
|
||||
#ifdef __cplusplus
|
||||
extern "C"
|
||||
#endif
|
||||
char cufftPlanMany ();
|
||||
int
|
||||
main ()
|
||||
{
|
||||
return cufftPlanMany ();
|
||||
;
|
||||
return 0;
|
||||
}
|
||||
_ACEOF
|
||||
if ac_fn_c_try_link "$LINENO"; then :
|
||||
ac_cv_lib_cufft_cufftPlanMany=yes
|
||||
else
|
||||
ac_cv_lib_cufft_cufftPlanMany=no
|
||||
fi
|
||||
rm -f core conftest.err conftest.$ac_objext \
|
||||
conftest$ac_exeext conftest.$ac_ext
|
||||
LIBS=$ac_check_lib_save_LIBS
|
||||
fi
|
||||
{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_lib_cufft_cufftPlanMany" >&5
|
||||
$as_echo "$ac_cv_lib_cufft_cufftPlanMany" >&6; }
|
||||
if test "x$ac_cv_lib_cufft_cufftPlanMany" = xyes; then :
|
||||
cat >>confdefs.h <<_ACEOF
|
||||
#define HAVE_LIBCUFFT 1
|
||||
_ACEOF
|
||||
|
||||
LIBS="-lcufft $LIBS"
|
||||
|
||||
else
|
||||
{ { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5
|
||||
$as_echo "$as_me: error: in \`$ac_pwd':" >&2;}
|
||||
as_fn_error $? "Couldn't find libcufft
|
||||
See \`config.log' for more details" "$LINENO" 5; }
|
||||
fi
|
||||
|
||||
fi
|
||||
|
||||
new_cusolver="yes"
|
||||
CC_stash=$CC
|
||||
CC=nvcc
|
||||
{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for cusolverDnZhegvdx_bufferSize in -lcusolver" >&5
|
||||
$as_echo_n "checking for cusolverDnZhegvdx_bufferSize in -lcusolver... " >&6; }
|
||||
if ${ac_cv_lib_cusolver_cusolverDnZhegvdx_bufferSize+:} false; then :
|
||||
$as_echo_n "(cached) " >&6
|
||||
else
|
||||
ac_check_lib_save_LIBS=$LIBS
|
||||
LIBS="-lcusolver $LIBS"
|
||||
cat confdefs.h - <<_ACEOF >conftest.$ac_ext
|
||||
/* end confdefs.h. */
|
||||
|
||||
/* Override any GCC internal prototype to avoid an error.
|
||||
Use char because int might match the return type of a GCC
|
||||
builtin and then its argument prototype would still apply. */
|
||||
#ifdef __cplusplus
|
||||
extern "C"
|
||||
#endif
|
||||
char cusolverDnZhegvdx_bufferSize ();
|
||||
int
|
||||
main ()
|
||||
{
|
||||
return cusolverDnZhegvdx_bufferSize ();
|
||||
;
|
||||
return 0;
|
||||
}
|
||||
_ACEOF
|
||||
if ac_fn_c_try_link "$LINENO"; then :
|
||||
ac_cv_lib_cusolver_cusolverDnZhegvdx_bufferSize=yes
|
||||
else
|
||||
ac_cv_lib_cusolver_cusolverDnZhegvdx_bufferSize=no
|
||||
fi
|
||||
rm -f core conftest.err conftest.$ac_objext \
|
||||
conftest$ac_exeext conftest.$ac_ext
|
||||
LIBS=$ac_check_lib_save_LIBS
|
||||
fi
|
||||
{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_lib_cusolver_cusolverDnZhegvdx_bufferSize" >&5
|
||||
$as_echo "$ac_cv_lib_cusolver_cusolverDnZhegvdx_bufferSize" >&6; }
|
||||
if test "x$ac_cv_lib_cusolver_cusolverDnZhegvdx_bufferSize" = xyes; then :
|
||||
cat >>confdefs.h <<_ACEOF
|
||||
#define HAVE_LIBCUSOLVER 1
|
||||
_ACEOF
|
||||
|
||||
LIBS="-lcusolver $LIBS"
|
||||
|
||||
else
|
||||
new_cusolver="no"
|
||||
fi
|
||||
|
||||
CC=$CC_stash
|
||||
|
||||
# Returning to the original flags
|
||||
CXXFLAGS=${ax_save_CXXFLAGS}
|
||||
LIBS=${ax_save_LIBS}
|
||||
|
||||
try_dflags="$try_dflags -D__CUDA"
|
||||
cuda_extlibs="devxlib"
|
||||
cuda_libs="$mMcudalib=cufft,cublas,cusolver,curand \$(TOPDIR)/external/devxlib/src/libdevXlib.a"
|
||||
|
||||
cuda_fflags="$mMcuda=cc$with_cuda_cc,cuda$with_cuda_runtime"
|
||||
cuda_fflags="$cuda_fflags \$(MOD_FLAG)\$(TOPDIR)/external/devxlib/src"
|
||||
cuda_fflags="$cuda_fflags \$(MOD_FLAG)\$(TOPDIR)/external/devxlib/include"
|
||||
|
||||
if test ${new_cusolver} != yes; then
|
||||
# -----------------------------------------
|
||||
# Fortran flags
|
||||
# -----------------------------------------
|
||||
if test "$f90_major_version" -le 19; then
|
||||
# NVHPC v. 19 and previous: new solver not avaliable
|
||||
cuda_fflags="$cuda_fflags \$(MOD_FLAG)\$(TOPDIR)/EIGENSOLVER_GPU/lib_eigsolve"
|
||||
cuda_extlibs="$cuda_extlibs eigensolver"
|
||||
cuda_libs="$cuda_libs \$(TOPDIR)/EIGENSOLVER_GPU/lib_eigsolve/lib_eigsolve.a"
|
||||
|
|
@ -4789,25 +4334,22 @@ $as_echo "$as_me: WARNING: Using legacy custom solver." >&2;}
|
|||
else
|
||||
try_dflags="$try_dflags -D__USE_CUSOLVER"
|
||||
fi
|
||||
# -----------------------------------------
|
||||
# C flags - not sure whether they are suitable for old version as well
|
||||
# -----------------------------------------
|
||||
cuda_cflags=" -I$with_cuda/include -gpu=cc$with_cuda_cc,cuda$with_cuda_runtime"
|
||||
ldflags="$ldflags $mMcuda=cc$with_cuda_cc,cuda$with_cuda_runtime"
|
||||
gpu_arch="$with_cuda_cc"
|
||||
gpu_runtime="$with_cuda_runtime"
|
||||
cuda_path="$CUDAPATH"
|
||||
cuda_runtime="$with_cuda_runtime"
|
||||
if test "$enable_openacc" == "yes"; then
|
||||
ldflags="$ldflags -acc"
|
||||
cuda_fflags="$cuda_fflags -acc"
|
||||
CUDA_CFLAGS="$CUDA_CFLAGS -acc -gpu=cc$with_cuda_cc,cuda$with_cuda_runtime"
|
||||
cuda_cflags="$cuda_cflags -acc"
|
||||
fi
|
||||
|
||||
fi
|
||||
|
||||
# Announcing the new variables
|
||||
# For C (maybe needed in the future)
|
||||
|
||||
|
||||
|
||||
|
||||
# And for Fortran
|
||||
|
||||
|
||||
|
||||
|
|
@ -7513,6 +7055,7 @@ $as_echo "${elpa_libs}" >&6; }
|
|||
# Setting HDF5...
|
||||
|
||||
|
||||
|
||||
# Check whether --with-hdf5 was given.
|
||||
if test "${with_hdf5+set}" = set; then :
|
||||
withval=$with_hdf5; if test "$withval" = "no" ; then
|
||||
|
|
|
|||
|
|
@ -1,4 +1,4 @@
|
|||
# Copyright (C) 2001-2016 Quantum ESPRESSO Foundation
|
||||
# Copyright (C) 2001-2022 Quantum ESPRESSO Foundation
|
||||
#####
|
||||
#
|
||||
# SYNOPSIS
|
||||
|
|
@ -7,25 +7,15 @@
|
|||
#
|
||||
# DESCRIPTION
|
||||
#
|
||||
# Figures out if CUDA Driver API/nvcc is available, i.e. existence of:
|
||||
# nvcc
|
||||
# cuda.h
|
||||
# libcuda.a
|
||||
#
|
||||
# If something isn't found, fails straight away.
|
||||
#
|
||||
# The following variables (for C) are substituted in the makefile:
|
||||
# NVCC : the nvcc compiler command.
|
||||
# NVCCFLAGS : nvcc specific flags
|
||||
# CUDA_CFLAGS : CUDA includes
|
||||
# CUDA_LDLIBS : CUDA libraries
|
||||
# For Fortran:
|
||||
# Simplified compilation for NVidia GPUs using nvhpc compiler
|
||||
# Assumes a standard installation of a recente nvhpc sdk
|
||||
# The following variables are substituted in the makefile:
|
||||
# gpu_arch
|
||||
# gpu_runtime
|
||||
# cuda_runtime
|
||||
# cuda_cflags
|
||||
# cuda_fflags
|
||||
# cuda_libs
|
||||
# cuda_extlibs
|
||||
# cuda_path
|
||||
#
|
||||
# LICENCE
|
||||
# Public domain
|
||||
|
|
@ -35,13 +25,13 @@
|
|||
AC_DEFUN([X_AC_QE_CUDA], [
|
||||
|
||||
# Variables
|
||||
NVCC=no
|
||||
CUDA_CFLAGS=
|
||||
CUDA_LDLIBS=
|
||||
cuda_path=
|
||||
gpu_arch=
|
||||
cuda_runtime=
|
||||
cuda_cflags=
|
||||
cuda_fflags=
|
||||
cuda_libs=
|
||||
cuda_extlibs=
|
||||
# FIXME: currently devxlib is needed also for non-CUDA compilation
|
||||
cuda_extlibs=devxlib
|
||||
|
||||
# Provide your CUDA path with this
|
||||
AC_ARG_WITH([cuda],
|
||||
|
|
@ -64,15 +54,12 @@ AC_ARG_ENABLE([openacc],
|
|||
[],
|
||||
[enable_openacc=yes])
|
||||
|
||||
AC_ARG_ENABLE([cuda-env-check],
|
||||
[AS_HELP_STRING([--enable-cuda-env-check],[The configure script will check CUDA installation and report problems @<:@default=no@:>@])],
|
||||
[],
|
||||
[enable_cuda_env_check=no])
|
||||
|
||||
if test "$f90_major_version" -gt 20 || (test "$f90_major_version" -eq 20 && test "$f90_minor_version" -ge 7); then
|
||||
# NVHPC v. 20.7 and later
|
||||
mMcuda="-cuda -gpu"
|
||||
mMcudalib="-cudalib"
|
||||
else
|
||||
# NVHPC previous to v. 20.7
|
||||
mMcuda="-Mcuda"
|
||||
mMcudalib="-Mcudalib"
|
||||
fi
|
||||
|
|
@ -80,7 +67,7 @@ fi
|
|||
if test "x$with_cuda" != "xno"
|
||||
then
|
||||
# -----------------------------------------
|
||||
# Check compiler is PGI
|
||||
# Check compiler
|
||||
# -----------------------------------------
|
||||
AC_LANG_PUSH([Fortran])
|
||||
AC_FC_SRCEXT([f90])
|
||||
|
|
@ -88,116 +75,23 @@ then
|
|||
AC_LANG_POP([Fortran])
|
||||
if test "x$have_cudafor" != "xyes"
|
||||
then
|
||||
AC_MSG_ERROR([You do not have the cudafor module. Are you using a PGI compiler?])
|
||||
AC_MSG_ERROR([You do not have the cudafor module. Are you using NVHPC compiler?])
|
||||
fi
|
||||
# -----------------------------------------
|
||||
# Setup CUDA paths
|
||||
# Headers and libraries
|
||||
# -----------------------------------------
|
||||
if test "x$with_cuda" != "xyes"
|
||||
then
|
||||
#AX_NORMALIZE_PATH([with_cuda], ["/"])
|
||||
CUDAPATH="$with_cuda"
|
||||
CUDA_CFLAGS+=" -I$with_cuda/include"
|
||||
CUDA_LDLIBS+=" -L$with_cuda/lib64"
|
||||
else
|
||||
AC_CHECK_FILE(/usr/local/cuda/,[CUDAPATH="/usr/local/cuda"],[])
|
||||
AC_CHECK_FILE(/usr/local/cuda/include,[CUDA_CFLAGS+=" -I/usr/local/cuda/include"],[CUDA_CFLAGS=""])
|
||||
AC_CHECK_FILE(/usr/local/cuda/lib64,[CUDA_LDLIBS+=" -L/usr/local/cuda/lib64"],[])
|
||||
fi
|
||||
CUDA_LDLIBS+=" -lcuda -lcudart -lcublas -lcufft"
|
||||
|
||||
|
||||
|
||||
# -----------------------------------------
|
||||
# Checking for nvcc
|
||||
# -----------------------------------------
|
||||
AC_PATH_PROG([NVCC],[nvcc],[no],[$PATH:$CUDAPATH/bin])
|
||||
if test "x$NVCC" = "xno" && test "x$enable_cuda_env_check" = "xyes"
|
||||
then
|
||||
AC_MSG_WARN([Cannot find nvcc compiler. To enable CUDA, please add path to
|
||||
nvcc in the PATH environment variable and/or specify the path
|
||||
where CUDA is installed using: --with-cuda=PATH])
|
||||
fi
|
||||
|
||||
|
||||
# -----------------------------------------
|
||||
# Setup nvcc flags
|
||||
# -----------------------------------------
|
||||
AC_ARG_VAR(NVCCFLAGS,[Additional nvcc flags (example: NVCCFLAGS="-arch=compute_30 -code=sm_30")])
|
||||
if test x$DEBUG = xtrue
|
||||
then
|
||||
NVCCFLAGS+=" -g -arch=compute_$with_cuda_cc -code=sm_$with_cuda_cc"
|
||||
else
|
||||
NVCCFLAGS+=" -O3 -arch=compute_$with_cuda_cc -code=sm_$with_cuda_cc"
|
||||
fi
|
||||
|
||||
|
||||
# -----------------------------------------
|
||||
# Check if nvcc works
|
||||
# -----------------------------------------
|
||||
ac_compile_nvcc=no
|
||||
AC_MSG_CHECKING([whether nvcc works])
|
||||
cat>conftest.cu<<EOF
|
||||
__global__ static void test_cuda() {
|
||||
const int tid = threadIdx.x;
|
||||
const int bid = blockIdx.x;
|
||||
__syncthreads();
|
||||
}
|
||||
EOF
|
||||
|
||||
if test "x$NVCC" != "xno"
|
||||
then
|
||||
if $NVCC -c $NVCCFLAGS conftest.cu &> /dev/null
|
||||
then
|
||||
ac_compile_nvcc=yes
|
||||
fi
|
||||
fi
|
||||
rm -f conftest.cu conftest.o
|
||||
AC_MSG_RESULT([$ac_compile_nvcc])
|
||||
|
||||
if test "x$ac_compile_nvcc" = "xno" && test "x$enable_cuda_env_check" = "xyes"
|
||||
then
|
||||
AC_MSG_WARN([CUDA compiler has problems.])
|
||||
fi
|
||||
|
||||
|
||||
# -----------------------------------------
|
||||
# Check for headers and libraries
|
||||
# -----------------------------------------
|
||||
ax_save_CXXFLAGS="${CXXFLAGS}"
|
||||
ax_save_LIBS="${LIBS}"
|
||||
|
||||
|
||||
FCFLAGS="$CUDA_CFLAGS $CXXFLAGS"
|
||||
LIBS="$CUDA_LDLIBS $LIBS"
|
||||
|
||||
# And the header and the lib
|
||||
if test "x$enable_cuda_env_check" = "xyes"
|
||||
then
|
||||
AC_CHECK_LIB([cuda], [cuInit], [], AC_MSG_FAILURE([Couldn't find libcuda]))
|
||||
AC_CHECK_LIB([cudart], [cudaMalloc], [], AC_MSG_FAILURE([Couldn't find libcudart]))
|
||||
AC_CHECK_LIB([cublas], [cublasInit], [], AC_MSG_FAILURE([Couldn't find libcublas]))
|
||||
AC_CHECK_LIB([cufft], [cufftPlanMany], [], AC_MSG_FAILURE([Couldn't find libcufft]))
|
||||
fi
|
||||
|
||||
new_cusolver="yes"
|
||||
CC_stash=$CC
|
||||
CC=nvcc
|
||||
AC_CHECK_LIB([cusolver], [cusolverDnZhegvdx_bufferSize], [], new_cusolver="no")
|
||||
CC=$CC_stash
|
||||
|
||||
# Returning to the original flags
|
||||
CXXFLAGS=${ax_save_CXXFLAGS}
|
||||
LIBS=${ax_save_LIBS}
|
||||
|
||||
try_dflags="$try_dflags -D__CUDA"
|
||||
cuda_extlibs="devxlib"
|
||||
cuda_libs="$mMcudalib=cufft,cublas,cusolver,curand \$(TOPDIR)/external/devxlib/src/libdevXlib.a"
|
||||
|
||||
cuda_fflags="$mMcuda=cc$with_cuda_cc,cuda$with_cuda_runtime"
|
||||
cuda_fflags="$cuda_fflags \$(MOD_FLAG)\$(TOPDIR)/external/devxlib/src"
|
||||
cuda_fflags="$cuda_fflags \$(MOD_FLAG)\$(TOPDIR)/external/devxlib/include"
|
||||
|
||||
if test ${new_cusolver} != yes; then
|
||||
# -----------------------------------------
|
||||
# Fortran flags
|
||||
# -----------------------------------------
|
||||
if test "$f90_major_version" -le 19; then
|
||||
# NVHPC v. 19 and previous: new solver not avaliable
|
||||
cuda_fflags="$cuda_fflags \$(MOD_FLAG)\$(TOPDIR)/EIGENSOLVER_GPU/lib_eigsolve"
|
||||
cuda_extlibs="$cuda_extlibs eigensolver"
|
||||
cuda_libs="$cuda_libs \$(TOPDIR)/EIGENSOLVER_GPU/lib_eigsolve/lib_eigsolve.a"
|
||||
|
|
@ -205,29 +99,26 @@ EOF
|
|||
else
|
||||
try_dflags="$try_dflags -D__USE_CUSOLVER"
|
||||
fi
|
||||
# -----------------------------------------
|
||||
# C flags - not sure whether they are suitable for old version as well
|
||||
# -----------------------------------------
|
||||
cuda_cflags=" -I$with_cuda/include -gpu=cc$with_cuda_cc,cuda$with_cuda_runtime"
|
||||
ldflags="$ldflags $mMcuda=cc$with_cuda_cc,cuda$with_cuda_runtime"
|
||||
gpu_arch="$with_cuda_cc"
|
||||
gpu_runtime="$with_cuda_runtime"
|
||||
cuda_path="$CUDAPATH"
|
||||
cuda_runtime="$with_cuda_runtime"
|
||||
if test "$enable_openacc" == "yes"; then
|
||||
ldflags="$ldflags -acc"
|
||||
cuda_fflags="$cuda_fflags -acc"
|
||||
CUDA_CFLAGS="$CUDA_CFLAGS -acc -gpu=cc$with_cuda_cc,cuda$with_cuda_runtime"
|
||||
cuda_cflags="$cuda_cflags -acc"
|
||||
fi
|
||||
|
||||
fi
|
||||
|
||||
# Announcing the new variables
|
||||
# For C (maybe needed in the future)
|
||||
AC_SUBST([NVCC])
|
||||
AC_SUBST([NVCCFLAGS])
|
||||
AC_SUBST([CUDA_CFLAGS])
|
||||
AC_SUBST([CUDA_LDLIBS])
|
||||
# And for Fortran
|
||||
AC_SUBST(gpu_arch)
|
||||
AC_SUBST(gpu_runtime)
|
||||
AC_SUBST(cuda_runtime)
|
||||
AC_SUBST(cuda_cflags)
|
||||
AC_SUBST(cuda_fflags)
|
||||
AC_SUBST(cuda_libs)
|
||||
AC_SUBST(cuda_extlibs)
|
||||
AC_SUBST(cuda_path)
|
||||
])
|
||||
|
|
|
|||
|
|
@ -89,20 +89,17 @@ MPIF90 = @mpif90@
|
|||
F90 = @f90@
|
||||
CC = @cc@
|
||||
|
||||
# CUDA Toolkit path
|
||||
CUDA_PATH=@cuda_path@
|
||||
|
||||
# GPU architecture (Kepler: 35, Pascal: 60, Volta: 70 )
|
||||
GPU_ARCH=@gpu_arch@
|
||||
|
||||
# CUDA runtime (Pascal: 8.0, Volta: 9.0)
|
||||
CUDA_RUNTIME=@gpu_runtime@
|
||||
CUDA_RUNTIME=@cuda_runtime@
|
||||
|
||||
# CUDA F90 Flags
|
||||
CUDA_F90FLAGS=@cuda_fflags@ $(MOD_FLAG)$(TOPDIR)/external/devxlib/src
|
||||
|
||||
# CUDA C Flags
|
||||
CUDA_CFLAGS=@CUDA_CFLAGS@
|
||||
CUDA_CFLAGS=@cuda_cflags@
|
||||
|
||||
# C preprocessor and preprocessing flags - for explicit preprocessing,
|
||||
# if needed (see the compilation rules above)
|
||||
|
|
@ -174,7 +171,7 @@ MASS_LIBS = @mass_libs@
|
|||
|
||||
# CUDA libraries
|
||||
CUDA_LIBS=@cuda_libs@ -L$(TOPDIR)/external/devxlib/src -ldevXlib
|
||||
CUDA_EXTLIBS = devxlib @cuda_extlibs@
|
||||
CUDA_EXTLIBS = @cuda_extlibs@
|
||||
|
||||
# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue