| 3:32:52 PM PDT - Wed, Jun 1st 2016 |
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Hi everyone.
I have been dealing with a problem when executing nwchem-6.6. The compilation was fine, but, when a run a dft optimization plus frequencies calculation the program crashes with the next error:
V_OpenCL< -1001, 245 >: clState::clState( ) couldn't find OpenCL platforms
0:Segmentation Violation error, status=: 11
(rank:0 hostname:desktop pid:26589):ARMCI DASSERT fail. ../../ga-5-4/armci/src/common/signaltrap.c:SigSegvHandler():315 cond:0
Last System Error Message from Task 0:: No such file or directory
I have tried with several environment variables but non of them seems to work. The last configuration that I tried is:
!/bin/bash
export NWCHEM_TOP=/home/frank/bin/nwchem-6.6/
export NWCHEM_TARGET=LINUX64
export ARMCI_NETWORK=SOCKETS
export ARMCI_DEFAULT_SHMMAX=2048
export LARGE_FILES=TRUE
export NWCHEM_MODULES="all"
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LOC=/home/frank/bin/openmpi
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export LIBMPI="-lmpi_usempi -lmpi_mpifh -lmpi"
export ACML=/home/frank/bin/acml/6/gfortran64/lib
export BLASOPT="-L/$ACML -lacml"
export BLAS_SIZE=4
export USE_64TO32=y
export FC=gfortran
cd $NWCHEM_TOP/src
make realclean
make nwchem_config
make 64_to_32
make -j4
cd $NWCHEM_TOP/contrib
./getmem.nwchem
Does anybody knows how to solve this issue, it would be really nice some help, I have been trying to solve it for several days!
Thanks!
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