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#1 | FLEUR on JURECA-GPU datum

Wed Jun 16, 2021 12:06 pm

mredies

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Posts:	11
Registered since:	04.07.2021

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ml use $OTHERSTAGES
ml Stages/Devel-2020
ml NVHPC
ml ParaStationMPI
ml ScaLAPACK
 

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#2 | RE: FLEUR on JURECA-GPU datum

Wed Jun 16, 2021 3:21 pm

mredies

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Posts:	11
Registered since:	04.07.2021

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ml use $OTHERSTAGES
ml Stages/Devel-2020
ml NVHPC
ml ParaStationMPI
ml ScaLAPACK
ml CMake
 
FC=mpif90 CC=mpicc ./configure.sh -gpu acc:cc80 -hdf5 TRUE
 

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#3 | RE: FLEUR on JURECA-GPU datum

Fri Jun 25, 2021 12:22 pm

mredies

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Posts:	11
Registered since:	04.07.2021

If you want ELPA you can do it with:

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FC=mpif90 CC=mpicc ./configure.sh -link "-lelpa_openmp"  -libdir /p/project/cjias1d/redies1/elpa-2021.05.001/install/lib -includedir /p/project/cjias1d/redies1/elpa-2021.05.001/install/include/elpa_openmp-2021.05.001/modules/ -gpu acc:cc80 -hdf5 TRUE

while you can build ELPA with:

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../configure FC=mpif90 CC=mpicc  FCFLAGS=" -O1 " CFLAGS="-fPIC" --enable-openmp --enable-shared=no --disable-avx512 --prefix=$PWD/../install

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configure with hdf5 error � � IFF cluster non-slurm GPU