[Pw_forum] Re: Re: parallel ph.x in Opteron (Paolo Giannozzi)

wlyim at puccini.che.pitt.edu wlyim at puccini.che.pitt.edu
Sun Feb 13 23:38:44 CET 2005

Thanks for your suggestion. I am waiting for the ifc compiler.

By the way, I have checked the optimization flag and the subroutines. I
found that all the object files can be compiled with the default configure
settings (FFLAGS = -fast -r8 $(IFLAGS)). However, for a specific object 
file dvqpsi_us_only.o, I needed to lower the optimization level and 
changed it to (FFLAGS = -O1 -Mnoframe -Mlre -r8 $(IFLAGS) $(FDFLAGS)). So, 
now my parallel pw.x and ph.x works, where all object files were compiled 
by default setting and dvqpsi_us_only.o by specific setting.

Any bug in dvqpsi_us_only.f90 or PGI 5.1 compiler?

Many thanks in advance.

Best regards,
William Yim

> Message: 2
> From: Paolo Giannozzi <giannozz at nest.sns.it>
> Organization: Scuola Normale Superiore di Pisa
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] parallel ph.x in Opteron
> Date: Sat, 12 Feb 2005 15:06:58 +0100
> Reply-To: pw_forum at pwscf.org
> On Friday 11 February 2005 17:00, wlyim at puccini.che.pitt.edu wrote:
> > Recently I updated pwscf to version 2.1.2 into Opteron cluster using 
> > PGI 5.1 compiler. The serial version of pw.x and ph.x seemed ok. [...]
> > In parallel run, pw.x is working, however, I got some error by parallel
> > ph.x. 
> it looks like a compiler problem. Get the latest available patches 
> for the PGI compiler; if nothing changes, try g95. There is a version 
> for 64-bit AMD.
> Paolo

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