Dear David:
indeed, removing the "-j 24" flag resolves the issue. Thank you very much
for your help.
Chris.
On Wed, May 9, 2018 at 6:20 AM, David A Case <david.case.rutgers.edu> wrote:
> On Tue, May 08, 2018, Chris Neale wrote:
> >
> > On a dgx-1, I can compile serial, serial+GPU, and MPI+GPU pmemd for
> > amber18, but I get a compile error for the straight MPI version.
>
> Thanks for the report.
> >
> > mpif90 -DBINTRAJ -DEMIL -DMPI -DSANDER -c -O3 -mtune=native -fPIC
> > -ffree-form -I/home/cneale/exec/AMBER/amber18/include
> > -I/home/cneale/exec/AMBER/amber18/include -I../sander \
> > -o transf.SANDER.o transf.F90
> > Fatal Error: Can't delete temporary module file 'memory_module.mod0': No
> > such file or directory
>
> First: note that you are compiling pbsa here, not pmemd. My best
> initial guess is that no one has tested a parallel build with as many as
> 24 threads, and that you have hit a race condition: the pbsa component
> shares code with sander, and I'm guessing that the Makefiles don't
> recognize this cross-dependency. Simplest test would be to remove the
> "-j24" flag and see anything changes.
>
> If that doesn't help, make sure that the mpif90 command above is doing
> what you want, i.e. type "mpif90 -show".
>
> ...regards....dac
>
>
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Received on Thu May 10 2018 - 12:30:02 PDT
