[AMBER] Amber 12 and PGI compilers >= 12.5

From: Ben Roberts <ben.roberts.geek.nz>
Date: Thu, 29 Nov 2012 12:09:23 +1300

Hi,

A few months ago, it emerged that there were problems with the PGI compilers and Amber 12, starting with version 12.5. At least, this was the case on our Intel Linux cluster here.

I think it's a compiler issue rather than an Amber issue; version 12.5 tripped up in (I think) PBSA, while 12.10 tripped up when building FFTW 3. I haven't tested 12.6 through 12.9.

Anyway, with 12.10, the problem can be avoided by configuring with -nosse, if that helps anyone.

Cheers,
Ben
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 28 2012 - 15:30:03 PST
Custom Search