Search found 8 matches

by avelon
18 Feb 2016, 17:39
Forum: Running Dalton
Topic: parallel run
Replies: 2
Views: 4153

Re: parallel run

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
by avelon
10 Feb 2016, 17:43
Forum: Running Dalton
Topic: parallel run
Replies: 2
Views: 4153

parallel run

Dear All, How to run on more than one node? 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 | x8...
by avelon
24 Nov 2013, 17:42
Forum: Running Dalton
Topic: Parallel run error
Replies: 12
Views: 14839

Re: Parallel run error

No.
What version GLIBC is required?
by avelon
13 Nov 2013, 10:56
Forum: Running Dalton
Topic: Parallel run error
Replies: 12
Views: 14839

Re: Parallel run error

calculation stops on "Starting in Integral Section" and gives the same error.
by avelon
13 Nov 2013, 10:24
Forum: Running Dalton
Topic: Parallel run error
Replies: 12
Views: 14839

Re: Parallel run error

all tests have failed((
by avelon
13 Nov 2013, 09:52
Forum: Running Dalton
Topic: Parallel run error
Replies: 12
Views: 14839

Re: Parallel run error

change "-nb" to "-mb" and without this option gives the same error.
run /gpfs/CLUSTERUSERS/neilparker2/soft/DALTON-2013.0-Source/build/dalton.x instead of $SCRATCHDIR/dalton_mpi_copy.x. May it be an error in script of dalton?
by avelon
13 Nov 2013, 09:05
Forum: Running Dalton
Topic: Parallel run error
Replies: 12
Views: 14839

Re: Parallel run error

change in file *.dal on:
**DALTON INPUT
.RUN WAVE FUNCTIONS
**WAVE FUNCTIONS
.DFT
B3LYP
**END OF DALTON INPUT
gives the same error in parallel mode
by avelon
13 Nov 2013, 08:14
Forum: Running Dalton
Topic: Parallel run error
Replies: 12
Views: 14839

Parallel run error

Dear colleague, System information: gcc-4.7.3; openmpi-1.7.2; cmake-2.8.12.1; Python-2.7.5;gpfs, inifiband, SUSE Linux Enterprise Server (64 bit); none PBS. script install ./setup --mpi --blas=none --lapack=none --explicit-libs="-L/gpfs/CLUSTERUSERS/neilparker2/INSTALL/ATLAS/lib -llapack -lf77blas -...