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Re: [abinit-forum] getting abinip to read DEN files only on master node


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  • From: Gilles Zerah <gilles.zerah@cea.fr>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] getting abinip to read DEN files only on master node
  • Date: Tue, 07 Aug 2007 11:28:40 +0200
  • Organization: CEA-DAM

Dear Alaska,

Right now, the density is written by the process 0, and read by all. This assumes that
files are shared.
Writing is done in the routine: 21drive/outscfcv.F90.
I would try the modification, which will allow all processes to write:

=== modified file 'src/21drive/outscfcv.F90'
--- src/21drive/outscfcv.F90 2007-06-18 23:47:22 +0000
+++ src/21drive/outscfcv.F90 2007-08-07 09:25:15 +0000
@@ -230,7 +230,7 @@
! - core charge is excluded from the charge density;
! - the potential is the INPUT vtrial.
if( mpi_enreg%paral_compil_kpt==0 .or. &
-& (mpi_enreg%me==0 .and. mpi_enreg%parareel == 0) .or. &
+& ( mpi_enreg%parareel == 0) .or. &
& (mpi_enreg%me_group_para==0 .and. mpi_enreg%parareel == 1)) then

if (prtden/=0 .or. prtpot>0 .or. prtgeo>0 .or. prt1dm>0 .or. prtstm>0 .or. &

But, in the future, this should be governed by a variable.

Gilles


Dear all,

I generate density file in the first dataset and use the density file
in subsequent datasets. However, the working directory is not shared
among all the nodes in the cluster (each nodes has its own scratch
space). Is it possible in getting abinip to read the DEN file only on
the master node and broadcast it to slave nodes? Or is it possible to
create all the output files in each nodes?

Thank you,
alaska





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