RE: sander (CAP) chokes on efc (Itanium2/Linux)

From: Karen Haskell <>
Date: Tue 17 Dec 2002 16:05:31 -0600

Are you using Amber 7?

See the Amber web page under "Amber-related links" to download
files and instructions we (at NEC) used to build Amber 7 on
Itanium. The files and instructions you want to look at are for
the NEC_TX systems. This was initially done on Itanium but
should be fine for Itanium2. If you have any further questions
please contact us.

  Karen Haskell
  NEC Solutions (America), Inc.
  Advanced Technology Computing Center
  4200 Research Forest Drive, Suite 400
  The Woodlands, TX 77381-4257

  Phone: 281-465-1529
  Fax: 281-465-1599

-----Original Message-----
From: Tadashi Takemori []
Sent: Tuesday, December 17, 2002 1:11 AM
Subject: sander (CAP) chokes on efc (Itanium2/Linux)

I have compiled AMBER on an Itanium2/Linux machine using the
Fortran Compiler that comes by the name of 'efc' instead of 'ifc'
just making a symbolic link ifc -> efc and using Machine.ifc.
The test
runs passed perfectly on most items but failed dismally on a
number of items notably in Run.cap in nonper, reporting a series
question marks '?????????' instead of numbers (indicating the
blew up). Given that the same program works perfectly in most
runs but
blows up completely in others, I suspect this is a compiler
issue, or
some slight unintended/unannonced modification in the Fortran
from ifc to efc. Can you possibly provide me with some helpful
information (e.g. a Machine file specifically tuned for use with
Hat Linux)?

Thank you.

Tadashi Takemori
Institute of Materials Science,
University of Tsukuba,
Tsukuba Ibaraki 305-8573, Japan
tel: +81-298-53-5312
Received on Tue Dec 17 2002 - 14:05:31 PST
Custom Search