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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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Mon Jan 27 2020 - 04:30:01 PST
