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Updates: the combination PGI 12.9 + CUDA 5.0 has some issues on CRAY, default is Intel. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9588 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
spigafi 2012-10-28 22:19:16 +00:00
parent 8a232a9482
commit 8db11db601
1 changed files with 9 additions and 18 deletions
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27
install/README.CSCS_todi
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@ -1,8 +1,5 @@
Info by Filippo Spiga, Oct. 2012, valid for any version of QE after 5.
**************************************************************
* THIS IS A DRAFT - EVALUATION IN STILL IN PROGRESS *
**************************************************************
Machine name : TODI (Cray XKT) at CSCS, Lugano (CH)
Machine spec : http://user.cscs.ch/hardware/todi_cray_xk7/index.html
@ -13,11 +10,12 @@ Similar systems : TITAN (ORNL, USA)
... starting from a SVN checkout...
module switch PrgEnv-cray PrgEnv-pgi
module switch PrgEnv-cray PrgEnv-intel
module load cudatoolkit/5.0.33.103
module unload atp hss-llm
cd espresso
cd GPU/
./configure --enable-openmp --enable-cuda --with-gpu-arch=30 \
./configure --enable-openmp --enable-cuda --with-gpu-arch=35 \
--with-cuda-dir=${CRAY_CUDATOOLKIT_DIR} --disable-magma \
--disable-profiling --enable-phigemm --enable-parallel \
--with-scalapack ARCH=crayxt
@ -27,19 +25,6 @@ make -f Makefile.gpu all-gpu
Executables will be located under "./bin"
...@todi1:~/espresso> ls -1 bin/*gpu*
bin/cp-gpu.x
bin/cppp-gpu.x
bin/dynmat-gpu.x
bin/generate_vdW_kernel_table-gpu.x
bin/lambda-gpu.x
bin/matdyn-gpu.x
bin/neb-gpu.x
bin/ph-gpu.x
bin/pw-gpu.x
bin/q2r-gpu.x
bin/turbo_lanczos-gpu.x
bin/wfdd-gpu.x
IMPORTANT NOTE (!): only pw-gpu.x, neb-gpu.x, ph-gpu.x use extensively
the GPU card in multiple sections of the code. All
@ -51,6 +36,11 @@ IMPORTANT NOTE : not all the codes are enough "big" or "computational
missing in the above list do "make -f Makefile.gpu distclean"
and follow the instruction in the file "README.CSCS_rosa"
IMPORTANT NOTE : CPU-only code supports PGI, GNU and Intel compilers. GPU+CPU
code supports *ONLY* Intel compiler. A bug report has been
filled to PGI and NVIDIA.
2. Good practices
@ -66,6 +56,7 @@ IMPORTANT NOTE : not all the codes are enough "big" or "computational
mandatory to export the variable CRAY_CUDA_PROXY ("export CRAY_CUDA_PROXY=1")
3. Example scripts
#SBATCH --job-name="QE-BENCH-SPIGA"