parallel run

Find answers or ask questions regarding Dalton calculations.
Please upload an output file showing the problem, if applicable.
(It is not necessary to upload input files, they can be found in the output file.)

Post Reply
avelon
Posts: 8
Joined: 13 Nov 2013, 06:55
First name(s): Alexander
Middle name(s): I
Last name(s): Petrov
Affiliation: Siberian Federal University
Country: Russian Federation

parallel run

Post by avelon » 10 Feb 2016, 17:43

Dear All,
How to run on more than one node?

Code: Select all

dalton -d -mb 16000 -N 16 -nodelist "node-16-13 node-16-01" -ow -noarch test test
16 starts processes on a single node

Compilation information
-----------------------

System | Linux-3.10.0-229.20.1.el7.x86_64
CMake generator | Unix Makefiles
Processor | x86_64
64-bit integers | OFF
MPI | ON (OPENMPI 1.6.5)
Fortran compiler | /gpfs/CLUSTERUSERS/nailparker/INSTALL/openmpi/bin/
| mpif90
Fortran compiler version | GNU Fortran (GCC) 4.8.3 20140911 (Red Hat 4.8.3-9)
C compiler | /gpfs/CLUSTERUSERS/nailparker/INSTALL/openmpi/bin/
| mpicc
C compiler version | gcc (GCC) 4.8.3 20140911 (Red Hat 4.8.3-9)
C++ compiler | /gpfs/CLUSTERUSERS/nailparker/INSTALL/openmpi/bin/
| mpicxx
C++ compiler version | unknown
BLAS | /gpfs/CLUSTERUSERS/nailparker/INSTALL/openblas/lib
| /libopenblas.so

avelon
Posts: 8
Joined: 13 Nov 2013, 06:55
First name(s): Alexander
Middle name(s): I
Last name(s): Petrov
Affiliation: Siberian Federal University
Country: Russian Federation

Re: parallel run

Post by avelon » 18 Feb 2016, 17:39

SOLUTION

script file:
export DALTON_TMPDIR=PATH
export DALTON_LAUNCHER="mpirun -np 16 -hostfile $DALTON_TMPDIR/host -npernode 8"
dalton -d -mb 16000 -ow -noarch TEST TEST

HOST FILE:
node-1
node-2

bast
Posts: 1210
Joined: 26 Aug 2013, 13:22
First name(s): Radovan
Last name(s): Bast
Affiliation: none
Country: Germany

Re: parallel run

Post by bast » 19 Feb 2016, 12:03

It's great that you solved it. Thanks for sharing the solution.

Post Reply

Who is online

Users browsing this forum: No registered users and 10 guests