So on two separate platforms I get similar errors, all for EVB tests with
sander.LES.MPI:
Platform 1: Linux x86_64 Centos 2.6.18-164.11.1.el5 on intel i7-860; intel
Compilers 10.1; mpich2 1.2.1
./configure -mpi intel
Platform 2: CYGWIN_NT-5.1 1.7.1(0.218/5/3) i686 on Athlon X2 4400+; GNU
Compilers 4.3.4; mpich2 1.2.1
./configure -mpi -cygwin -noX11 gnu
These tests result in a segmentation fault:
cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_2D-PMF && ./Run.evb
cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_corrF && ./Run.evb
These tests result in MPI aborts:
cd evb/poh_dbonds_umb_dg_UFF_9DG && ./Run.evb
cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_ld_full && ./Run.evb
cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_nhc_full && ./Run.evb
cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full && ./Run.evb
cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full_TST-freqf && ./Run.evb
Seems compiler independent (though I am using the same mpi version on both
platforms). Is anyone else seeing this?
-Dan
On Sun, Mar 28, 2010 at 10:52 PM, case <case.biomaps.rutgers.edu> wrote:
> Hi everyone:
>
> I have placed the latest release candidates here:
>
> http://ambermd.org/downloads/AmberTools.28mar10.tar.bz2
> http://ambermd.org/downloads/Amber11.28mar10.tar.bz2
>
> Notes:
>
> 1. AmberTools can stand on its own, but Amber11 requires you to first
> download
> and untar AmberTools. Note: you don't need to *compile* AmberTools, but
> you
> do need to untar and configure it.
>
> If you don't want to read the instructions: go to amber11/AmberTools/src
> and run configure from there. This will create a config.h file that is
> used
> by both AmberTools and Amber11.
>
> 2. I left out the 2_million_atom and cuda test suites: these take up 200
> Mbytes, and won't be used by most people. I'm thinking of distributing
> these in a separate tar file. Many people have to download Amber over
> pretty
> slow internet connections.
>
> 3. The code in CVS no longer corresponds to the release candidates, but the
> differences are few. I still encourage people to update the documentation,
> and commits can still be made in the amber11/doc subdirectory.
>
> ...thx...dac
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
--
-------------------------
Daniel R. Roe
Postdoctoral Associate
SAS - Chemistry & Chemical Biology
610 Taylor Road
Piscataway, NJ 08854
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Received on Mon Mar 29 2010 - 20:00:02 PDT
