[AMBER] Question about sander running parallel

From: Sadaf Rani <sadafrani6.gmail.com>
Date: Fri, 31 May 2019 17:39:23 +0100

Hi AMBER users
I want to run production run for my protein on cpu
what command should I use?
I am using following
 mpirun -np8 sander -O -i prod.in -p 2bh9.prmtop -c 2bh9_eq_v.rst -r
2bh9_prod.rst -x 2bh9_prod.crd -o 2bh9_prod.out
but it gives following error
match_arg (utils/args/args.c:159): unrecognized argument np8
[mpiexec.bashful.cluster] HYDU_parse_array (utils/args/args.c:174):
argument matching returned error
[mpiexec.bashful.cluster] parse_args (ui/mpich/utils.c:1596): error parsing
input array
[mpiexec.bashful.cluster] HYD_uii_mpx_get_parameters
(ui/mpich/utils.c:1648): unable to parse user arguments
[mpiexec.bashful.cluster] main (ui/mpich/mpiexec.c:153): error parsing

Please suggest

Thank you
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Received on Fri May 31 2019 - 10:00:03 PDT
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