| 8:48:06 AM PDT - Wed, Apr 25th 2012 |
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Hi, I am new to the forum though use NWChem 6.0 quite intensively. New DFT features in 6.1 are of interest but jobs always crash with Segmentation Violation error :
"0:Segmentation Violation error, status=: 11
(rank:0 hostname:lasso.bw02.fiu.edu pid:8132):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/signaltrap.c:SigSegvHandler():310 cond:0 rank 0 in job 2 lasso.bw02.fiu.edu_38648 caused collective abort of all ranks exit status of rank 0: return code 11 "
I have tried mpich2,openmpi,mvapich2 but always finish with this error (c2h4 test: nw memory was set in a range 1Gb - 256 mb for 8cpu node with 8Gb) . The compilation script is (both mpich2 and NWChem6.1 were compiled using Intel v. 12) :
export LARGE_FILES=TRUE
echo LARGE_FILES=$LARGE_FILES
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES=all
export ENABLE_COMPONENT=yes
export TCGRSH=/usr/bin/ssh
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_HOME=$HOME/mpich2
export MPI_LOC=$MPI_HOME
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export LIBMPI=" -L/${MPI_LIB} -lmpich -lopa -lmpl -lpthread -lrt"
make nwchem_config
make
There is a difference in job log files between 6.1 and 6.0.
6.0 job log starts with "ARMCI configured for 2 cluster nodes. Network protocol is 'TCP/IP Sockets argument 1 = 1.nw"
6.1 job log starts with " argument 1 = 1.nw"
Need help,
regards
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