AMBER Archive (2000)

Subject: (no subject)

From: Christian Pilger (cpilger_at_oc30.uni-paderborn.de)
Date: Tue Oct 10 2000 - 10:26:05 CDT

Dear AMBER-Users,

I tried AMBER 6 on several different plattforms. However under LINUX (Suse
distribution 6.4, Kernel: 2.2.16) I experienced the following problem:
while AMBER 6 readiliy compiles and runs on an Intel Celeron 333, it does
not compile on a new machine with an AMD Athlon 800. Employing the
executables generated by the Celeron 333 machine, the calculation (a simple
minimization) proceeds, but after about 50 (not really reproducable) steps
I get the "RESTARTED DUE TO LINMIN FAILURE". However, exactly the same
input files give reasonable results on the other platforms, including the
Celeron 333. Furthermore I frequently experienced crashes of the Athlon
800 machine while running AMBER, which never happend on the Celeron 333.
Has anyone of you experienced similar problems ? Could it be a matter of
defect hardware ?

Any comments are highly appreciated.

Best regards,

Christian

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 Christian Pilger Uni-GH Paderborn
                                       FB 13 - Organische Chemie
                                       Warburger Str. 100
                                 
                                       D-33098 Paderborn/Germany
 Tel.: 05251-60279/-602183
 Fax : 05251-603245 email: cpilger_at_oc30.uni-paderborn.de

 Word Wide Web: http://oc30.uni-paderborn.de/~cpilger
 
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