From NWChem
Viewed 404 times, With a total of 1 Posts
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Just Got Here
Threads 3
Posts 4
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| 9:31:00 AM PDT - Sat, Apr 28th 2012 |
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I'm having trouble compiling NWCHEM (v6.0) *without* MPI on a macintosh (MacOS 10.7, gcc and gfortran v4.6 via MacPorts). The env variables I'm setting are
export NWCHEM_TOP='/Users/rmuller/Programs/nwchem/nwchem-6.0'
export NWCHEM_TARGET=MACX
export USE_MPI=no
export USE_MPIF=no
export USE_MPIF4=no
export FC=gfortran
export CC=gcc
export NWCHEM_MODULES=qm
Despite having USE_MPI* being "no", I'm getting
gcc -I../include -I../armci/src -DMACX -DGFORTRAN -DARMCI -DNEED_MEMALIGN -DMPI -O -c -o collect.o collect.c
collect.c:1:17: fatal error: mpi.h: No such file or directory
compilation terminated.
make[2]: *** [collect.o] Error 1
rm drand48.o checkbyte.o sizeof.o pbeginf.o
make[1]: *** [tools] Error 2
make: *** [libraries] Error 1
Any hints to making this work?
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Regular
Threads 1
Posts 268
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| 9:43:07 AM PDT - Mon, Apr 30th 2012 |
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do not set USE_MPI at all
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Rpmuller,
Please do not set any of the USE_MPI* variables.
The autoconf script does not check the environment variables value, but only if the environment variables are set at at all.
Cheers, Edo
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