[Pw_forum] One minor bug, one not minor and two questions

Laurence Marks L-marks at northwestern.edu
Wed Apr 13 15:32:29 CEST 2011

Agreed. One could (maybe) write a macro for this but it would be way
too specialized. Just removing the over-ride should enable the user to
specify it; most cluster sysadmins should have this posted or one can
use the ifort linking guide.

N.B., I would test myself, but at least on the cluster where I have
PWSCF installed it complains that at configure.ac:30 the language is
set as C not Fortran. This might be a bug in the autoconf I have there
or real -- getting the language set right is a pain and I've had
problems with this in the past for other code.

On Tue, Apr 12, 2011 at 8:55 AM, Paolo Giannozzi <giannozz at democritos.it> wrote:
> On Sun, 2011-04-10 at 16:13 -0500, Laurence Marks wrote:
>> Another quick one: line 1766 of install/configure.ac nulls out
>> scalapack_libs and the lines below look like they are special tests,
>> which seems to be inconsistent with line 150 and standard protocols of
>> letting the user define input variables.
> very likely so. The problem is that scalapack is typically available
> on large parallel machines. It is not obvious to have access to more
> than a few of them, and each machine seems to have a different idea
> on where scalapack should be. The present status of configure.ac is
> the results of trial and error attempts on a few machines. With so much
> variety and so few people daring to look inside configure.ac, it is not
> obvious how to set up a better and more general scalapack test.
> Suggestions are most welcome (and not only on scalapack)
> P.
> --
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
Research is to see what everybody else has seen, and to think what
nobody else has thought
Albert Szent-Gyorgi

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