Amber List dear
I'm trying to run a calculation in parallel.
The installation of Amber returns ok
However it seems that the MPI with this problems and the message below
Algume know how to solve?
Best regards
Marcelo
[mchagas.faraday DM-ZN-ZN]$ ls
HZYLYCRESP.inpcrd HZYLYCRESP.prmtop Min.in TESTE-II
[mchagas.faraday DM-ZN-ZN]$ mpirun -np 20 $AMBERHOME/bin/sander.MPI -i
Min.in -p HZYLYCRESP.prmtop -c HZYLYCRESP.inpcrd -ref HZYLYCRESP.inpcrd -r
AMin.rst -o BMin.out &
[1] 36872
[mchagas.faraday DM-ZN-ZN]$
****************************************************************************
* hwloc has encountered what looks like an error from the operating system.
*
* Socket (P#1 cpuset 0xffff0000) intersects with NUMANode (P#1 cpuset
0xff00ffff) without inclusion!
* Error occurred in topology.c line 942
*
* The following FAQ entry in a recent hwloc documentation may help:
* What should I do when hwloc reports "operating system" warnings?
* Otherwise please report this error message to the hwloc user's mailing
list,
* along with the output+tarball generated by the hwloc-gather-topology
script.
****************************************************************************
--------------------------------------------------------------------------
mpirun was unable to launch the specified application as it could not access
or execute an executable:
Executable: /programs/amber14/bin/sander.MPI
Node: faraday
while attempting to start process rank 0.
--------------------------------------------------------------------------
20 total processes failed to start
Marcelo Andrade Chagas, MSc
(PhD student)
Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
*
http://lqcmm.qui.ufmg.br/
Departamento de Química da Universidade Federal de Minas Gerais - UFMG
Tel:(31)3409-5776
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Received on Thu Mar 24 2016 - 11:30:03 PDT
