I always get MA fatal error: MA_sizeof: invalid datatype: 343597384693 every time I try to run NWchem.
I installed the nwchem on my account of our supercomputer. Has any idea about what is going wrong with the compiling?
argument 1 = oh3tr5.nw
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
mpiexec: Warning: tasks 0-11 exited with status 1.
ls -lat
ls -lat
this is the script I use to compile:
#!/bin/csh
set echo
set verbose
module list
setenv
# gnu make required
make -v
# set NWChem top location
setenv NWCHEM_TOP "$home/NWChem/Nwchem-6.5"
cd $NWCHEM_TOP/src
# protect source code
#chmod -R go-rwx *
# set optional environment variables
setenv LARGE_FILES TRUE
setenv USE_NOFSCHECK TRUE
# 48GB, 12 proc oakley; 3GB overhead; nwchem mem spec is per proc
#3.75*kB*kB*kB/8
setenv LIB_DEFINES " -DDFLT_TOT_MEM=503316480 "
# set platform
setenv NWCHEM_TARGET LINUX64
unsetenv NWCHEM_TARGET_CPU
#set ccompiler=''
#set fortrancompiler=ifort
set fortrancompiler=mpif90
$fortrancompiler -v
$fortrancompiler -V
# set MPI stuff
setenv USE_MPI y
setenv USE_MPIF y
setenv USE_MPIF4 y
setenv LIBMPI "$MPI_LIBS"
setenv MPI_LIB ""
setenv MPI_INCLUDE /usr/local/mvapich2/1.7-intel/include
setenv IB_INCLUDE /usr/include
setenv IB_LIB /usr/lib64
setenv ARMCI_NETWORK OPENIBc
setenv MSG_COMMS MPI
setenv NWCHEM_MODULES "all"
make realclean
cd $NWCHEM_TOP/src
make nwchem_config
make FC=$fortrancompiler >& make.log
exit
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