Hi
> > > make test.parallel
> > > > icc: error #10104: unable to open '-L/opt/intel/fce/10.1.013/lib/'
>
> Do you have a directory /opt/intel/fce/10.1.013/lib? Is it possible that
> you
> have icc installed but not ifort?
>
The directory is there, and I do have both icc and ifort installed
> Plus, the usual notes:
>
> 1. I'm assuming that you really need the MPI version of NAB. But if you
> have multiple-core machines that are currently common, the openmp version
> might be just as good. Basically, unless you have an Infiniband (or
> equivalent) interconnect between nodes, scaling parallel NAB jobs to more
> than
> one node will not work well. On just one node, openmp is as good as MPI.
>
It's possible to use single core, but it would obviously slow down the
calculation.
I installed openmpi but got to the same point: at the make test.parallel:
icc: error #10104: unable to open '-L/opt/intel/fce/10.1.013/lib/'
cc failed!
./Run.sff: Program error
But I'm not sure how configure_openmpi works -- it requires the source code
to be tarred from
the ambertools src directory. It seems to configure it from there, does it
automatically link the new
libraries and executables? Should I do that manually AFTER the configuration
or make?
> 2. Using gnu compilers rather than Intel won't hurt very much. Unless you
> are
> carrying out very heavy duty parallel NAB calculations on an every-day
> basis,
> you might never notice the difference.
>
> I tried using gnu and it didn't make it through the parallel installation,
the error messages began about here
(it was the same regardless of openMPI or mpich):
...
mv libsff.a /home/sindhikara/amber11/lib
make[2]: Leaving directory `/home/sindhikara/amber11/AmberTools/src/sff'
cd ../pbsa; make libinstall
make[2]: Entering directory `/home/sindhikara/amber11/AmberTools/src/pbsa'
mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o
interface.o interface.c
interface.c(64): (col. 8) remark: BLOCK WAS VECTORIZED.
cpp -traditional -P -DBINTRAJ -DMPI -DPBSA sa_driver.f > _sa_driver.f
mpif90 -c -O3 -ffree-form -o sa_driver.o _sa_driver.f
ifort: command line warning #10006: ignoring unknown option '-ffree-form'
fortcom: Error: Illegal character in statement label field [m]
fortcom: Error: Illegal character in statement label field [o]
fortcom: Error: Illegal character in statement label field [d]
fortcom: Error: Illegal character in statement label field [u]
fortcom: Error: Illegal character in statement label field [l]
fortcom: Error: First statement in file must not be continued
fortcom: Error: _sa_driver.f, line 120: Illegal character in statement label
field [i]
implicit none
---^
fortcom: Error: _sa_driver.f, line 120: Illegal character in statement label
field [m]
implicit none
----^
...
Thanks.
--Dan
--
Dr. Daniel J. Sindhikara
Institute for Molecular Science
E-mail: sindhikara.gmail.com
Website: http://sites.google.com/site/dansindhikara/
--
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Received on Mon Sep 13 2010 - 00:00:04 PDT
