[Pw_forum] Problems with ph.x in pwscf2.0

Paolo Giannozzi giannozz at nest.sns.it
Mon Mar 8 18:23:01 CET 2004


On Monday 08 March 2004 15:51, Massimiliano Bonomi wrote:

> I compiled pwscf2.0 on a linux cluster with PGI IA-32.
> I had no problem with pw.x using mpiexec v. 0.74 for parallel use,
> but when i tried to use ph.x the program stopped after a few seconds
> without any error message in the standard output.

if you are using k-point parallelization, you need to install the patch
I sent a few days ago (or simply to remove the call to "init_pool" from
PH/phq_readin.f90). Otherwise, this is what the manual says:
---
Linux PCs with Portland Group compiler (pgf90)

Use the latest version of each release of the compiler, with patches if
available: see the Portland Group web site, 
http://www.pgroup.com/faq/install.htm#release_info.  PWscf does not
work reliably, or not at all, with some versions of the Portland compiler.
---

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy




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