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Phonons in 4.5.2

From: fabrizio cleri <fcleri@yahoo.it>
To: forum@abinit.org
Subject: Phonons in 4.5.2
Date: Tue, 23 Aug 2005 10:50:55 +0200 (CEST)
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Hi,

I wish to report an (apparent) runtime error in
version 4.5.2.

System: IBM SP4 128 nodes
Compiler: IBM xlf90
Parallel subsystem: POE.MPI

When running phonon perturbation calculations in
version 4.5.2, with the same input file that gives
good results with version 4.4.4, the program stops
with a core-dump with no apparent reason. The "err"
file does not contain any useful explanation.
The stop occurs right at the beginning of the
perturbation calculation, after the wfk and wfq files
have been read. The last records printed are:

getcut: wavevector= 0.0000 0.0000 0.0000 ngfft=
50 54 50
ecut(hartree)= 14.500 =>
boxcut(ratio)= 2.01904

ITER STEP NUMBER 1

Note: the crash occurs only in the parallel version,
while the serial version seems to run fine.

Hope this helps,

fc

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Phonons in 4.5.2, fabrizio cleri, 08/23/2005
- Re: [abinit-forum] Phonons in 4.5.2, verstraete, 08/24/2005