| 10:01:10 AM PDT - Thu, May 8th 2014 |
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Dear Edo really thanks for your patience I used this setup like you advice me:
export NWCHEM_TOP=/Users/lorenzodona/Nwchem-6.3
export NWCHEM_TARGET=MACX64
export NWCHEM_MODULES=all
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LOC=/opt/local
export BLASOPT=" "
cd /Users/lorenzodona/Nwchem-6.3/src
make FC=gfortran _GCC4=Y link
USE_64TO32=y
Can you check if I understood well where put make FC=gfortran _GCC4=Y link?
I found this error with this setup
MacBook-Pro-di-Lorenzo-Dona:Nwchem-6.3 lorenzodona$ ./build.command
grep: /Users/lorenzodona/Nwchem-6.3/src/tools/build/Makefile: No such file or directory
/Applications/Xcode.app/Contents/Developer/usr/bin/make nwchem.o stubs.o
gfortran -fdefault-integer-8 -Warray-bounds -g -fno-aggressive-loop-optimizations -I. -I/Users/lorenzodona/Nwchem-6.3/src/include -I/Users/lorenzodona/Nwchem-6.3/src/tools/install/include -DMACX -DGFORTRAN -DGCC4 -DEXT_INT -DGCC46 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/Users/lorenzodona/Nwchem-6.3'" -DNWCHEM_BRANCH="'Development'" -c -o nwchem.o nwchem.F
Warning: Nonexistent include directory "/Users/lorenzodona/Nwchem-6.3/src/tools/install/include"
nwchem.F:3:0: fatal error: errquit.fh: No such file or directory
#include "errquit.fh"
^
compilation terminated.
make[1]: *** [nwchem.o] Error 1
make: *** [link] Error 2
if I use only gfortran the compilation starts but terminate always with
lm -lcc_dynamic
ld: library not found for -lcc_dynamic
collect2: error: ld returned 1 exit status
make: *** [all] Error 1
Thanks really a lot to help me.
and excuse me again if I bother you
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