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Merge branch 'seghecray2' into 'develop' 

Small fixes for recent cray machines

See merge request QEF/q-e!1785
This commit is contained in:
giannozz 2022-03-16 10:42:38 +00:00
parent 3f36b75e77 1288664a33
commit 63d55b650c
9 changed files with 55 additions and 65 deletions
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8
Doc/user_guide.tex
View File

@ -1309,10 +1309,12 @@ properly. On another CRAY [...] there is also Intel compiler as option
and the system is slightly different compared to the other.
So my recipe should work, 99\% of the cases.'' (info by Filippo Spiga)
For Cray XT machines, use \texttt{./configure ARCH=crayxt4} or else
\configure\ will not recognize the Cray-specific software environment.
For recent Cray machines and "PrgEnv-cray" environment,
\texttt{./configure ARCH=craype} should do the job.
In case of internal compiler error, reduce the optimization level
for the compilation that fails.
Older Cray machines: T3D, T3E, X1, are no longer supported.
Old Cray machines: T3D, T3E, X1, etc, are no longer supported.
\subsubsection{Obsolescent architectures}

2
PW/src/input.f90
View File

@ -1682,7 +1682,7 @@ SUBROUTINE iosys()
!
! ... End of reading input parameters
!
#if ! defined (__INTEL_COMPILER) || (__INTEL_COMPILER >= 1300)
#if ( ! defined (__INTEL_COMPILER) || (__INTEL_COMPILER >= 1300) ) && ! defined (__CRAY)
CALL pw_init_qexsd_input(qexsd_input_obj, obj_tagname="input")
#endif
CALL deallocate_input_parameters ()

62
install/configure vendored
View File

@ -736,7 +736,6 @@ infodir
docdir
oldincludedir
includedir
runstatedir
localstatedir
sharedstatedir
sysconfdir
@ -834,7 +833,6 @@ datadir='${datarootdir}'
sysconfdir='${prefix}/etc'
sharedstatedir='${prefix}/com'
localstatedir='${prefix}/var'
runstatedir='${localstatedir}/run'
includedir='${prefix}/include'
oldincludedir='/usr/include'
docdir='${datarootdir}/doc/${PACKAGE_TARNAME}'
@ -1087,15 +1085,6 @@ do
| -silent | --silent | --silen | --sile | --sil)
silent=yes ;;
-runstatedir | --runstatedir | --runstatedi | --runstated \
| --runstate | --runstat | --runsta | --runst | --runs \
| --run | --ru | --r)
ac_prev=runstatedir ;;
-runstatedir=* | --runstatedir=* | --runstatedi=* | --runstated=* \
| --runstate=* | --runstat=* | --runsta=* | --runst=* | --runs=* \
| --run=* | --ru=* | --r=*)
runstatedir=$ac_optarg ;;
-sbindir | --sbindir | --sbindi | --sbind | --sbin | --sbi | --sb)
ac_prev=sbindir ;;
-sbindir=* | --sbindir=* | --sbindi=* | --sbind=* | --sbin=* \
@ -1233,7 +1222,7 @@ fi
for ac_var in exec_prefix prefix bindir sbindir libexecdir datarootdir \
datadir sysconfdir sharedstatedir localstatedir includedir \
oldincludedir docdir infodir htmldir dvidir pdfdir psdir \
libdir localedir mandir runstatedir
libdir localedir mandir
do
eval ac_val=\$$ac_var
# Remove trailing slashes.
@ -1386,7 +1375,6 @@ Fine tuning of the installation directories:
--sysconfdir=DIR read-only single-machine data [PREFIX/etc]
--sharedstatedir=DIR modifiable architecture-independent data [PREFIX/com]
--localstatedir=DIR modifiable single-machine data [PREFIX/var]
--runstatedir=DIR modifiable per-process data [LOCALSTATEDIR/run]
--libdir=DIR object code libraries [EPREFIX/lib]
--includedir=DIR C header files [PREFIX/include]
--oldincludedir=DIR C header files for non-gcc [/usr/include]
@ -2335,14 +2323,14 @@ then
$as_echo "$as_me: WARNING: Unrecognized build architecture" >&2;}
;;
esac
# workaround for Cray-XT machines
test -d /proc/cray_xt && arch=crayxt
# workaround for Cray machines
test -d /proc/cray_xt && arch=craype
# workaround for IBM BG machines
test -d /bgsys && arch=ppc64-bg
test -f /bgsys/drivers/ppcfloor/bin/runjob && arch=ppc64-bgq
fi
case $arch in
ia32 | ia64 | necsx | crayxt | ppc64-bg )
ia32 | ia64 | necsx | ppc64-bg )
{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: Obsolete architecture? $arch" >&5
$as_echo "$as_me: WARNING: Obsolete architecture? $arch" >&2;}
;;
@ -2881,7 +2869,7 @@ ia32 | ia64 | x86_64 )
arm )
try_f90="nvfortran pgf90 armflang $try_f90"
;;
crayxt* )
craype* )
try_f90="ftn"
try_mpif90="ftn"
;;
@ -3771,7 +3759,7 @@ case "$arch:$cc" in
# Workaround for BEEF compilation with PGI v.19 and previous
if test "$f90_flavor" = "pgf90"; then try_cflags="-c11 $try_cflags"; fi
;;
crayxt*:cc )
craype*:cc )
# Actually we need something like is done for ftn to detect
# the proper compiler used (NdFilippo)
try_cflags="-O3"
@ -3952,7 +3940,7 @@ x86_64:nagfor* )
try_dflags="$try_dflags -D__NAG"
have_cpp=0
;;
crayxt*:cray* )
craype*:cray* )
try_fflags_nomain=""
#NOTE: by default OpenMP is always ON (see crayftn man page)
try_fflags_openmp="-homp"
@ -3968,7 +3956,7 @@ crayxt*:cray* )
try_dflags="$try_dflags -D__CRAY"
have_cpp=0
;;
crayxt*:pgf* )
craype*:pgf* )
# see comment above for pgf*
try_fflags_nomain="-Mnomain"
try_fflags_openmp="-mp"
@ -4214,24 +4202,24 @@ else
fi
# NVHPC v. 21.11-22.2 buggy
if (test "$f90_major_version" -eq 21 && test "$f90_minor_version" -ge 11) ||
(test "$f90_major_version" -eq 22 && test "$f90_minor_version" -lt 3 ) ; then
as_fn_error $? "Buggy compiler version, upgrade to 22.3 or downgrade to 21.9" "$LINENO" 5
fi
if test "$f90_major_version" -gt 20 || (test "$f90_major_version" -eq 20 && test "$f90_minor_version" -ge 7); then
# NVHPC v. 20.7 and later
mMcuda="-cuda -gpu"
mMcudalib="-cudalib"
else
# NVHPC previous to v. 20.7
mMcuda="-Mcuda"
mMcudalib="-Mcudalib"
fi
if test "x$with_cuda" != "xno"
then
# NVHPC v. 21.11-22.2 buggy
if (test "$f90_major_version" -eq 21 && test "$f90_minor_version" -ge 11) ||
(test "$f90_major_version" -eq 22 && test "$f90_minor_version" -lt 3 ) ; then
as_fn_error $? "Buggy compiler version, upgrade to 22.3 or downgrade to 21.9" "$LINENO" 5
fi
if test "$f90_major_version" -gt 20 || (test "$f90_major_version" -eq 20 && test "$f90_minor_version" -ge 7); then
# NVHPC v. 20.7 and later
mMcuda="-cuda -gpu"
mMcudalib="-cudalib"
else
# NVHPC previous to v. 20.7
mMcuda="-Mcuda"
mMcudalib="-Mcudalib"
fi
# -----------------------------------------
# Check compiler
# -----------------------------------------
@ -6076,7 +6064,7 @@ fi
orig_fflags="$FFLAGS"
for inc in $try_incdir
do
FFLAGS="$orig_fflags -I$inc -ffree-form"
FFLAGS="$orig_fflags -I$inc"
cat > conftest.$ac_ext <<_ACEOF
use iso_c_binding
include "fftw3.f03"

6
install/m4/x_ac_qe_arch.m4
View File

@ -39,14 +39,14 @@ then
* ) AC_MSG_WARN(Unrecognized build architecture)
;;
esac
# workaround for Cray-XT machines
test -d /proc/cray_xt && arch=crayxt
# workaround for Cray machines
test -d /proc/cray_xt && arch=craype
# workaround for IBM BG machines
test -d /bgsys && arch=ppc64-bg
test -f /bgsys/drivers/ppcfloor/bin/runjob && arch=ppc64-bgq
fi
case $arch in
ia32 | ia64 | necsx | crayxt | ppc64-bg )
ia32 | ia64 | necsx | ppc64-bg )
AC_MSG_WARN(Obsolete architecture? $arch)
;;
esac

2
install/m4/x_ac_qe_cc.m4
View File

@ -49,7 +49,7 @@ case "$arch:$cc" in
# Workaround for BEEF compilation with PGI v.19 and previous
if test "$f90_flavor" = "pgf90"; then try_cflags="-c11 $try_cflags"; fi
;;
crayxt*:cc )
craype*:cc )
# Actually we need something like is done for ftn to detect
# the proper compiler used (NdFilippo)
try_cflags="-O3"

32
install/m4/x_ac_qe_cuda.m4
View File

@ -60,24 +60,24 @@ AC_ARG_ENABLE([openacc],
[],
[enable_openacc=yes])
# NVHPC v. 21.11-22.2 buggy
if (test "$f90_major_version" -eq 21 && test "$f90_minor_version" -ge 11) ||
(test "$f90_major_version" -eq 22 && test "$f90_minor_version" -lt 3 ) ; then
AC_MSG_ERROR([Buggy compiler version, upgrade to 22.3 or downgrade to 21.9])
fi
if test "$f90_major_version" -gt 20 || (test "$f90_major_version" -eq 20 && test "$f90_minor_version" -ge 7); then
# NVHPC v. 20.7 and later
mMcuda="-cuda -gpu"
mMcudalib="-cudalib"
else
# NVHPC previous to v. 20.7
mMcuda="-Mcuda"
mMcudalib="-Mcudalib"
fi
if test "x$with_cuda" != "xno"
then
# NVHPC v. 21.11-22.2 buggy
if (test "$f90_major_version" -eq 21 && test "$f90_minor_version" -ge 11) ||
(test "$f90_major_version" -eq 22 && test "$f90_minor_version" -lt 3 ) ; then
AC_MSG_ERROR([Buggy compiler version, upgrade to 22.3 or downgrade to 21.9])
fi
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
# -----------------------------------------
# Check compiler
# -----------------------------------------

4
install/m4/x_ac_qe_f90.m4
View File

@ -139,7 +139,7 @@ x86_64:nagfor* )
try_dflags="$try_dflags -D__NAG"
have_cpp=0
;;
crayxt*:cray* )
craype*:cray* )
try_fflags_nomain=""
#NOTE: by default OpenMP is always ON (see crayftn man page)
try_fflags_openmp="-homp"
@ -155,7 +155,7 @@ crayxt*:cray* )
try_dflags="$try_dflags -D__CRAY"
have_cpp=0
;;
crayxt*:pgf* )
craype*:pgf* )
# see comment above for pgf*
try_fflags_nomain="-Mnomain"
try_fflags_openmp="-mp"

2
install/m4/x_ac_qe_fft.m4
View File

@ -153,7 +153,7 @@ if test "$fft_libs" = ""; then
orig_fflags="$FFLAGS"
for inc in $try_incdir
do
FFLAGS="$orig_fflags -I$inc -ffree-form"
FFLAGS="$orig_fflags -I$inc"
AC_COMPILE_IFELSE([use iso_c_binding
include "fftw3.f03"
end],have_fft_include=1,)

2
install/m4/x_ac_qe_mpif90.m4
View File

@ -26,7 +26,7 @@ ia32 | ia64 | x86_64 )
arm )
try_f90="nvfortran pgf90 armflang $try_f90"
;;
crayxt* )
craype* )
try_f90="ftn"
try_mpif90="ftn"
;;