Re: [AMBER] Error on PCA

From: Elisabeth Widjajakusuma <widjajakusuma_e.yahoo.com>
Date: Wed, 23 Nov 2011 00:16:26 +0800 (SGT)

Dear David,

Thank you very much for the hints. I can calculate it in another machine, and the problem is related to the library.

Best wishes,
Elisabeth


________________________________
 From: David A Case <case.biomaps.rutgers.edu>
To: Elisabeth Widjajakusuma <widjajakusuma_e.yahoo.com>; AMBER Mailing List <amber.ambermd.org>
Sent: Tuesday, November 22, 2011 4:51 PM
Subject: Re: [AMBER] Error on PCA
 
On Tue, Nov 22, 2011, Elisabeth Widjajakusuma wrote:

> ptraj: symbol lookup error: ptraj: undefined symbol: _gfortran_pow_r8_i4

Odd.  Is there any chance you are running on a machine that is different
from the one you compiled ptraj on?  Did you use any third-part lapack
libaries (MKL, Goto)?  I guess we should know what options you gave to
configure, and what the result of "gfortran --version" is.

...dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 22 2011 - 08:30:03 PST
Custom Search