Did you install Amber11 alongside AmberTools 1.5 or 1.4?
On Tue, Apr 19, 2011 at 5:42 AM, Dmitry Osolodkin <divanych.rambler.ru>wrote:
> Dear AMBER List,
>
> I've just upgraded to AMBER 11 and trying to perform MM-PBSA
> calculations. Unfortunately, it seems that pbsa is compiled incorrectly:
> tests say something like following:
>
> ==============================================================
> cd sander_pbsa_dmp && ./Run.dmp.min
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
>
> sander 083E3947 Unknown Unknown Unknown
> sander 080FA517 Unknown Unknown Unknown
> sander 080CBCCA Unknown Unknown Unknown
> sander 080CABAB Unknown Unknown Unknown
> sander 0804F244 Unknown Unknown Unknown
> libc.so.6 40989C0E Unknown Unknown Unknown
> ./Run.dmp.min: Program error
> make[1]: [test.pbsa] Error 1 (ignored)
> cd sander_pbsa_ipb2 && ./Run.110D.min
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
>
> sander 083E3947 Unknown Unknown Unknown
> sander 080FA517 Unknown Unknown Unknown
> sander 080CBCCA Unknown Unknown Unknown
> sander 080CABAB Unknown Unknown Unknown
> sander 0804F244 Unknown Unknown Unknown
> libc.so.6 40989C0E Unknown Unknown Unknown
> ./Run.110D.min: Program error
> make[1]: [test.pbsa] Error 1 (ignored)
> cd sander_pbsa_delphi && ./Run.1az6.min
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
>
> sander 083E3947 Unknown Unknown Unknown
> sander 080FA517 Unknown Unknown Unknown
> sander 080CBCCA Unknown Unknown Unknown
> sander 080CABAB Unknown Unknown Unknown
> sander 0804F244 Unknown Unknown Unknown
> libc.so.6 40989C0E Unknown Unknown Unknown
> ./Run.1az6.min: Program error
> make[1]: [test.pbsa] Error 1 (ignored)
> cd sander_pbsa_lpb && ./Run.lsolver.min
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
>
> sander 083E3947 Unknown Unknown Unknown
> sander 080FA517 Unknown Unknown Unknown
> sander 080CBCCA Unknown Unknown Unknown
> sander 080CABAB Unknown Unknown Unknown
> sander 0804F244 Unknown Unknown Unknown
> libc.so.6 40989C0E Unknown Unknown Unknown
> ./Run.lsolver.min: Program error
> make[1]: [test.pbsa] Error 1 (ignored)
> cd sander_pbsa_radi && ./Run.ion.min
> diffing ./out.save/Li.out.save with Li.out
> PASSED
> ==============================================================
>
> I use Intel compilers (composerxe-2011.2.137) on 32-bit machine. What
> can I do to beat this error?
>
> Best regards,
> Dmitry
> --
> Dmitry Osolodkin
> Researcher
> Group of Computational Molecular Design
> Department of Chemistry
> Moscow State University
> Moscow 119991 Russia
> e-mail: dmitry_o.qsar.chem.msu.ru
> Phone: +7-495-9393557
> Fax: +7-495-9390290
>
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Apr 19 2011 - 08:30:07 PDT
