Re: AMBER: Problems with QMMM tests on Altix

From: Luis Gracia <lug2002.med.cornell.edu>
Date: Thu, 22 Feb 2007 17:35:14 -0500

Same thing here running amber 9 (bugfix 31), Red Hat Enterprise Linux AS
release 3, Altix 3700, propack 301, compiled with intel 9.1.039

The following is the set of tests that fail:
       cd qmmm2/crambin_2; ./Run.crambin
       cd qmmm2/crambin_2; ./Run.crambin_md
       cd qmmm2/crambin_2; ./Run.crambin_md_calc_mulliken
       cd qmmm2/crambin_2; ./Run.crambin_md_qmgb2
       cd qmmm2/crambin_2; ./Run.crambin_md_qmgb2_alpb
       cd qmmm2/crambin_2; ./Run.crambin_md_qmgb2_aq1
       cd qmmm2/crambin_2; ./Run.crambin_md_qmgb2_aq2
       cd qmmm2/crambin_2; ./Run.crambin_md_qmgb2_saltcon
       cd qmmm2/crambin; ./Run.crambin
       cd qmmm2/crambin; ./Run.crambin_md_hot_start
       cd qmmm2/crambin; ./Run.crambin_md

I can send more info if needed.

Best,

luis



Jarrod Smith said the following on 02/22/07 17:03:
> Hi all,
>
> We have problems with several of the QMMM tests on our Altix 350 systems.
> I'm not sure the tests are all failing in the same way but I've attached
> one example as a start.
>
> We are running SUSE 10 with propack 500r1. The source is patched with the
> latest bugfix.all and was compiled with ifort 9.1 20061105. The config.h
> I used came from:
>
> ./configure -nopar -bintraj sgi_altix
>
> Is anybody successfully running these calcs on a similar system? If so,
> would you be willing to share your setup with me?
>
> Thanks,
>
> Jarrod Smith
>
>
>
> ------------------------------------------------------------------------
>
> 105 thresher:/sb/apps/amber9/ia64/test% make test.sander.QMMM
> cd qmmm2/crambin_2; ./Run.crambin
> *** glibc detected *** ../../../exe/sander: malloc(): memory corruption: 0x6000000000e96350 ***
> ======= Backtrace: =========
> /lib/libc.so.6.1[0x2000000001d4f780]
> /lib/libc.so.6.1[0x2000000001d54d40]
> /lib/libc.so.6.1(malloc+0x1d11918)[0x2000000001d58e50]
> ../../../exe/sander[0x4000000000dec6e0]
> ../../../exe/sander[0x400000000006bec0]
> ../../../exe/sander[0x4000000000466390]
> ../../../exe/sander[0x4000000000192c50]
> ../../../exe/sander[0x400000000018d3f0]
> ../../../exe/sander[0x40000000000043c0]
> /lib/libc.so.6.1(__libc_start_main+0x1c61d88)[0x2000000001ca7630]
> ../../../exe/sander[0x4000000000004140]
> ======= Memory map: ========
> 00000000-00004000 r--p 00000000 00:00 0
> 2000000000000000-2000000000038000 r-xp 00000000 09:00 5816 /lib/ld-2.4.so
> 2000000000044000-200000000004c000 rw-p 00034000 09:00 5816 /lib/ld-2.4.so
> 200000000004c000-2000000000050000 rw-p 200000000004c000 00:00 0
> 2000000000064000-2000000000068000 rw-p 2000000000064000 00:00 0
> 2000000000068000-200000000182c000 r-xp 00000000 09:00 153972339 /usr/lib/libscs.so
> 200000000182c000-2000000001838000 ---p 017c4000 09:00 153972339 /usr/lib/libscs.so
> 2000000001838000-20000000018c8000 rw-p 017c0000 09:00 153972339 /usr/lib/libscs.so
> 20000000018c8000-2000000001b2c000 r-xp 00000000 09:00 118595085 /opt/intel_fc_91/lib/libimf.so.6
> 2000000001b2c000-2000000001b38000 ---p 00264000 09:00 118595085 /opt/intel_fc_91/lib/libimf.so.6
> 2000000001b38000-2000000001b78000 rw-p 00260000 09:00 118595085 /opt/intel_fc_91/lib/libimf.so.6
> 2000000001b78000-2000000001c34000 r-xp 00000000 09:00 5831 /lib/libm-2.4.so
> 2000000001c34000-2000000001c40000 ---p 000bc000 09:00 5831 /lib/libm-2.4.so
> 2000000001c40000-2000000001c48000 rw-p 000b8000 09:00 5831 /lib/libm-2.4.so
> 2000000001c48000-2000000001c70000 r-xp 00000000 09:00 118595094 /opt/intel_fc_91/lib/libunwind.so.6
> 2000000001c70000-2000000001c7c000 ---p 00028000 09:00 118595094 /opt/intel_fc_91/lib/libunwind.so.6
> 2000000001c7c000-2000000001c80000 rw-p 00024000 09:00 118595094 /opt/intel_fc_91/lib/libunwind.so.6
> 2000000001c80000-2000000001c84000 rw-p 2000000001c80000 00:00 0
> 2000000001c84000-2000000001ebc000 r-xp 00000000 09:00 5823 /lib/libc-2.4.so
> 2000000001ebc000-2000000001ec8000 ---p 00238000 09:00 5823 /lib/libc-2.4.so
> 2000000001ec8000-2000000001ed0000 rw-p 00234000 09:00 5823 /lib/libc-2.4.so
> 2000000001ed0000-2000000001ed4000 rw-p 2000000001ed0000 00:00 0
> 2000000001ed4000-2000000001ee4000 r-xp 00000000 09:00 12991 /lib/libgcc_s.so.1
> 2000000001ee4000-2000000001ef0000 ---p 00010000 09:00 12991 /lib/libgcc_s.so.1
> 2000000001ef0000-2000000001ef4000 rw-p 0000c000 09:00 12991 /lib/libgcc_s.so.1
> 2000000001ef4000-2000000001efc000 r-xp 00000000 09:00 5829 /lib/libdl-2.4.so
> 2000000001efc000-2000000001f08000 ---p 00008000 09:00 5829 /lib/libdl-2.4.so
> 2000000001f08000-2000000001f0c000 rw-p 00004000 09:00 5829 /lib/libdl-2.4.so
> 2000000001f0c000-200000000207c000 r-xp 00000000 09:00 218365771 /usr/lib/sgi/intel7/libcprts.so.4
> 200000000207c000-2000000002088000 ---p 00170000 09:00 218365771 /usr/lib/sgi/intel7/libcprts.so.4
> 2000000002088000-2000000002094000 rw-p 0016c000 09:00 218365771 /usr/lib/sgi/intel7/libcprts.so.4
> 2000000002094000-200000000244c000 r-xp 00000000 09:00 218365773 /usr/lib/sgi/intel7/libintrins.so.4
> 200000000244c000-2000000002458000 ---p 003b8000 09:00 218365773 /usr/lib/sgi/intel7/libintrins.so.4
> 2000000002458000-2000000002460000 rw-p 003b4000 09:00 218365773 /usr/lib/sgi/intel7/libintrins.so.4
> 2000000002460000-2000000002544000 r-xp 00000000 09:00 218365768 /usr/lib/sgi/intel7/libIEPCF90.so.4
> 2000000002544000-2000000002550000 ---p 000e4000 09:00 218365768 /usr/lib/sgi/intel7/libIEPCF90.so.4
> 2000000002550000-2000000002564000 rw-p 000e0000 09:00 218365768 /usr/lib/sgi/intel7/libIEPCF90.so.4
> 2000000002564000-2000000002668000 rw-p 2000000002564000 00:00 0
> 2000000002668000-2000000002718000 r-xp 00000000 09:00 218365767 /usr/lib/sgi/intel7/libF90.so.4
> 2000000002718000-2000000002724000 ---p 000b0000 09:00 218365767 /usr/lib/sgi/intel7/libF90.so.4
> 2000000002724000-2000000002754000 rw-p 000ac000 09:00 218365767 /usr/lib/sgi/intel7/libF90.so.4
> 2000000002754000-20000000027a4000 r-xp 00000000 09:00 218365769 /usr/lib/sgi/intel7/libPEPCF90.so.4
> 20000000027a4000-20000000027b0000 ---p 00050000 09:00 218365769 /usr/lib/sgi/intel7/libPEPCF90.so.4
> 20000000027b0000-20000000027bc000 rw-p 0004c000 09:00 218365769 /usr/lib/sgi/intel7/libPEPCF90.so.4
> 20000000027bc000-2000000002814000 r-xp 00000000 09:00 218365772 /usr/lib/sgi/intel7/libcxa.so.4
> 2000000002814000-2000000002820000 ---p 00058000 09:00 218365772 /usr/lib/sgi/intel7/libcxa.so.4
> 2000000002820000-2000000002828000 rw-p 00054000 09:00 218365772 /usr/lib/sgi/intel7/libcxa.so.4
> 2000000002828000-200000000282c000 rw-p 2000000002828000 00:00 0
> 200000000282c000-2000000002860000 r-xp 00000000 09:00 218365774 /usr/lib/sgi/intel7/libunwind.so.4
> 2000000002860000-200000000286c000 ---p 00034000 09:00 218365774 /usr/lib/sgi/intel7/libunwind.so.4
> 200000000286c000-2000000002874000 rw-p 00030000 09:00 218365774 /usr/lib/sgi/intel7/libunwind.so.4
> 2000000002874000-2000000002890000 r-xp 00000000 09:00 12955 /lib/libunwind.so.7.0.0
> 2000000002890000-200000000289c000 ---p 0001c000 09:00 12955 /lib/libunwind.so.7.0.0
> 200000000289c000-20000000028a0000 rw-p 00018000 09:00 12955 /lib/libunwind.so.7.0.0
> 20000000028a0000-2000000003120000 rw-p 20000000028a0000 00:00 0
> 2000000003200000-2000000003224000 rw-p 2000000003200000 00:00 0
> 2000000003224000-2000000003300000 ---p 2000000003224000 00:00 0
> 4000000000000000-4000000000ee8000 r-xp 00000000 00:1a 1410901889 /sb/apps/amber9/ia64/exe/sander
> 6000000000004000-60000000000b4000 rw-p 00ee4000 00:1a 1410901889 /sb/apps/amber9/ia64/exe/sander
> 60000000000b4000-6000000001270000 rw-p 60000000000b4000 00:00 0 [heap]
> 603fffffffffc000-6040000000000000 rw-p 603fffffffffc000 00:00 0
> 607fffffff990000-607fffffff9e4000 rw-p 607fffffff990000 00:00 0 [stack]
> a000000000000000-a000000000020000 ---p 00000000 00:00 0 [vdso]
> forrtl: error (76): IOT trap signal
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Received on Sun Feb 25 2007 - 06:07:25 PST
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