[AMBER] Running simulations in parallel

From: Aishani Prem <aishaniprem.gmail.com>
Date: Mon, 25 Jan 2016 10:19:13 -0800

     I have been trying to run simulations in amber. When I used the
command --

mpirun -np 8 $AMBERHOME/bin/sander -O -i test_gb_md1_nocut.in -o
test_gb_md1_nocut.out -c test_gb_init_min.rst -p test.prmtop -r
test_gb_md1_nocut.rst -x test_gb_md1_nocut.mdcrd.

But this is not working and when I tried installing amber 14 in parallel
using the command--

./configure -mpi gnu

I get an error--
IOError: [Errno 13] Permission denied:

Where am I going wrong?

Thank You and Regards,
Aishani Chittoor Prem
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Received on Mon Jan 25 2016 - 10:30:02 PST
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