I found "make -j 8 install" created the same problem, but "make -j 4
install" worked.
Sincerely,
Dow
⚛Dow Hurst, Research Scientist
340 Sullivan Science Bldg.
Dept. of Chem. and Biochem.
University of North Carolina at Greensboro
PO Box 26170 Greensboro, NC 27402-6170
On Thu, May 10, 2018 at 3:34 PM Chris Neale <candrewn.gmail.com> wrote:
> 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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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Wed Oct 31 2018 - 21:30:03 PDT
