Professor Case,
Thanks for the quick response.
> make test.parallel
> > icc: error #10104: unable to open '-L/opt/intel/fce/10.1.013/lib/'
> > cc failed!
>
> Can you provide some context for the error message? It looks to me like
> this
> could come from an NAB test, but not from a parallel ptraj test(?).
>
> Yes, sorry I made a mistake. The error is for all the NAB tests, the other
tests are fine.
I have attached the log for my latest attempt.
Also, I wonder if these lines during the make parallel attempt might give a
clue to the source of the problem:
mpicc -DBINDIR='"/home/sindhikara/amber11/bin"' \
-DINCDIR='"/home/sindhikara/amber11/include"' \
-DLIBDIR='"/home/sindhikara/amber11/lib"' \
-D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI
-DCC='"mpicc"' -DCPP='"/home/sindhikara/amber11/bin/ucpp -l"'
-DFLIBS='"/home/sindhikara/amber11/lib/arpack.a
/home/sindhikara/amber11/lib/lapack.a /home/sindhikara/amber11/lib/blas.a
-L/opt/intel/fce/10.1.013/lib/ -lifport -lifcore -lsvml -lfmpich"' \
-o nab_install nab.c
mv -f nab_install /home/sindhikara/amber11/bin/nab
mv -f nab2c /home/sindhikara/amber11/bin
mv -f libnab.a /home/sindhikara/amber11/lib
rm -f /home/sindhikara/amber11/include/nabcode.h
/home/sindhikara/amber11/include/defreal.h
/home/sindhikara/amber11/include/nab.h
There are some extra spaces before the -L/opt line. Does this mean that I am
missing some global variables?
> Which mpi are you using? What does "mpicc -show" report? If you have MPI
> problems, you might consider using the "configure_openmpi" script (same
> directory as "configure" itself), which sets up an MPI installation that is
> pretty well tested with Amber.
>
> mpicc -show gives:
/opt/intel/cce/10.1.013/bin/icc -DUSE_STDARG -DHAVE_STDLIB_H=1
-DHAVE_STRING_H=1 -DHAVE_UNISTD_H=1 -DHAVE_STDARG_H=1 -DUSE_STDARG=1
-DMALLOC_RET_VOID=1 -L/usr/local/mpich-1.2.6-intel64-v10.1.013/lib -lmpich
I am using mpich. I suppose I could install openMPI and try that, but I'm
not sure I understand why that
would solve the problem.
Thanks again for any help
--Dan
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Received on Sun Sep 12 2010 - 03:30:03 PDT
