Try removing all output files (mdout, coordinates and trajectory) and run
again.
El lun., 27 de ene. de 2020 09:22, Sruthi Sudhakar <
sruthisudhakarraji.gmail.com> escribió:
> I have both read and write permission for the directory
>
> On Mon, Jan 27, 2020 at 6:19 PM Sruthi Sudhakar <
> sruthisudhakarraji.gmail.com> wrote:
>
> > Thank you for the quick reply. I have run the command once gain using
> > mpirun:
> >
> > mpirun -np 2 $AMBERHOME/bin/pmemd.cuda.MPI -O -i prod_md.in -c
> > water_npt2.rst7 -p water.prmtop -o water_prod1.out -r water_prod1.rst7 -x
> > water_prod1.nc
> > At line 135 of file master_setup.F90 (unit = 6, file = 'water_prod1.out')
> > Fortran runtime error: Cannot write to file opened for READ
> >
> --------------------------------------------------------------------------
> > Primary job terminated normally, but 1 process returned
> > a non-zero exit code. Per user-direction, the job has been aborted.
> >
> --------------------------------------------------------------------------
> >
> --------------------------------------------------------------------------
> > mpirun detected that one or more processes exited with non-zero status,
> > thus causing
> > the job to be terminated. The first process to do so was:
> >
> > Process name: [[36132,1],0]
> > Exit code: 2
> >
> > The error occurred gain. I would check for the read and write permission.
> >
> > On Mon, Jan 27, 2020 at 5:28 PM Elvis Martis <elvis_bcp.elvismartis.in>
> > wrote:
> >
> >> Check if you have read and write permissions in your working directory
> >> Best Regards
> >>
> >>
> >>
> >> On Mon, 27 Jan 2020 at 17:22, Sruthi Sudhakar <
> >> sruthisudhakarraji.gmail.com>
> >> wrote:
> >>
> >> > Dear group members,
> >> >
> >> > I have been trying to run a job using pmemd.cuda.MPI in our system. I
> >> have
> >> > encountered the following error:
> >> >
> >> > pmemd.cuda.MPI -O -i prod_md.in -c water_npt2.rst7 -p water.prmtop -o
> >> > water_prod1.out -r water_prod1.rst7 -x water_prod1.nc
> >> >
> >> > At line 135 of file master_setup.F90 (unit = 6, file =
> >> 'water_prod1.out')
> >> > Fortran runtime error: Cannot write to file opened for READ
> >> >
> >> > Since I am using the parallel version for the first time I am unable
> to
> >> > understand the error here. Also attaching the input file.
> >> >
> >> > Thank you all in advance.
> >> > _______________________________________________
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> >> >
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> >>
> >
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Received on Mon Jan 27 2020 - 05:00:01 PST
