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
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Received on Tue Nov 22 2011 - 08:30:03 PST
