| 11:16:14 AM PDT - Tue, Oct 21st 2014 |
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Hi Edoapra,
Thanks for the update.
export NWCHEM_TOP="/app/setups/Nwchem-6.5.revision26243-src.2014-09-10"
export NWCHEM_TARGET="Linux64"
export LARGE_FILES="TRUE"
export ARMCI_NETWORK="OPENIB"
export ARMCI_OPENIB_DEVICE="mlx4_0"
export USE_NOFSCHECK="TRUE"
export PYTHONVERSION=2.6.6
export PYTHONHOME=/root
export NWCHEM_MODULES="all"
export NWCHEM_MPIF_WRAP="mpif90"
export NWCHEM_MPIC_WRAP="mpicc"
export NWCHEM_MPICXX_WRAP="mpicxx"
export MPI_LOC="/app/openmpi-1.6.4_intel/"
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export LIB_MPI="-lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -lnuma -Wl,--export-dynamic -lrt -lnsl -lutil"
export NWCHEM_MODULES="all"
export USE_MPI="y"
export IPCCSD="y"
export EACCSD="y"
export FC="mpif90"
export CC="gcc"
After adjusting with environment variable, the problem f77 got solved.
Now, I got new problem.
..................................................................................................................
l_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o icopy.o dsum.o dgefa.o
/app/setups/Nwchem-6.5.revision26243-src.2014-09-10/lib/Linux64/libnwcutil.a
/bin/sh: line 7: /app/setups/Nwchem-6.5.revision26243-src.2014-09-10/lib/Linux64/libnwcutil.a: Permission denied
make[2]: Leaving directory `/app/setups/Nwchem-6.5.revision26243-src.2014-09-10/src/util'
make[1]: Leaving directory `/app/setups/Nwchem-6.5.revision26243-src.2014-09-10/src/util'
Making libraries in peigs
make[1]: Entering directory `/app/setups/Nwchem-6.5.revision26243-src.2014-09-10/src/peigs'
(make lib ) || exit 1
make[2]: Entering directory `/app/setups/Nwchem-6.5.revision26243-src.2014-09-10/src/peigs'
(cd ./src/c; make)
make[3]: Entering directory `/app/setups/Nwchem-6.5.revision26243-src.2014-09-10/src/peigs/src/c'
gcc -I/app/setups/Nwchem-6.5.revision26243-src.2014-09-10/src/peigs/h -DLinux64 -D -c clustrfix.c
'<command-line>: error: macro names must be identifiers
clustrfix.c: In function ‘clustrfix_’:
clustrfix.c:206: error: ‘DLAMCHE’ undeclared (first use in this function)
clustrfix.c:206: error: (Each undeclared identifier is reported only once
clustrfix.c:206: error: for each function it appears in.)'
make[3]: *** [clustrfix.o] Error 1
make[3]: Leaving directory `/app/setups/Nwchem-6.5.revision26243-src.2014-09-10/src/peigs/src/c'
make[2]: *** [lib] Error 2
make[2]: Leaving directory `/app/setups/Nwchem-6.5.revision26243-src.2014-09-10/src/peigs'
make[1]: *** [peigs_stamp] Error 1
make[1]: Leaving directory `/app/setups/Nwchem-6.5.revision26243-src.2014-09-10/src/peigs'
make: *** [libraries] Error 1
You have new mail in /var/spool/mail/root
I tried google it redirect me .....
http://stackoverflow.com/questions/10779872/command-line11-error-macro-names-must-be-ident...
I have another Question.
1) How to identify make command recognized env variable? ("f77" is not a recognized env. variable by the NWChem makefile structure.)
Thanks & Regards
Jaikumar S
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