[AMBER] pmemd.cuda.MPI run error

From: Sruthi Sudhakar <sruthisudhakarraji.gmail.com>
Date: Mon, 27 Jan 2020 17:51:04 +0530

 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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Received on Mon Jan 27 2020 - 04:00:02 PST
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