[Pw_forum] Fpmd 2.1.5 /example 21 crash.

[Alexander Shaposhnikov]

Hellow, 

On my dual Xeon CPU PC , OS is Fedora Core4 x86, with Intel icc and
ifort 8.1 compilers 

Fpmd-2.1.5 in Espresso-2.1.5 crashes then trying to run example 21. No
problems with fpmd-2.1.3 in Espresso-2.1.4 package, compiled with all
the same options.

Trying to run example 21 with 32 H2O mol. crashes with the following
output:

///////////////////////////////////////////////////////////////////////

cleaning /home/alex/tmp... done
  running the calculation with 32 H2O molecules...*** glibc detected
*** /home/alex/programs/espresso-2.1.5/bin/fpmd.x: free(): invalid next
size (normal): 0x1d906d40 ***
======= Backtrace: =========
/lib/libc.so.6[0x175424]
/lib/libc.so.6(__libc_free+0x77)[0x17595f]
/home/alex/programs/espresso-2.1.5/bin/fpmd.x[0x8494006]
/home/alex/programs/espresso-2.1.5/bin/fpmd.x[0x849406d]
/home/alex/programs/espresso-2.1.5/bin/fpmd.x[0x810b05b]
/home/alex/programs/espresso-2.1.5/bin/fpmd.x[0x810e929]
/home/alex/programs/espresso-2.1.5/bin/fpmd.x[0x809c741]
/home/alex/programs/espresso-2.1.5/bin/fpmd.x[0x809a3aa]
/home/alex/programs/espresso-2.1.5/bin/fpmd.x[0x804c3e0]
/home/alex/programs/espresso-2.1.5/bin/fpmd.x[0x804c0a8]
/home/alex/programs/espresso-2.1.5/bin/fpmd.x[0x804befd]
/lib/libc.so.6(__libc_start_main+0xc6)[0x126de6]
/home/alex/programs/espresso-2.1.5/bin/fpmd.x(xdr_u_long
+0x59)[0x804bd91]
======= Memory map: ========
00111000-00112000 rwxp 00111000 00:00 0
00112000-00236000 r-xp 00000000 03:06 587113     /lib/libc-2.3.5.so
00236000-00238000 r-xp 00124000 03:06 587113     /lib/libc-2.3.5.so
00238000-0023a000 rwxp 00126000 03:06 587113     /lib/libc-2.3.5.so
0023a000-0023e000 rwxp 0023a000 00:00 0
0023e000-00247000 r-xp 00000000 03:06
585845     /lib/libnss_files-2.3.5.so
00247000-00248000 r-xp 00008000 03:06
585845     /lib/libnss_files-2.3.5.so
00248000-00249000 rwxp 00009000 03:06
585845     /lib/libnss_files-2.3.5.so
00282000-002a0000 r-xp 00000000 03:06
200183     /opt/intel_fc_80/lib/libcxa.so.5
002a0000-002a9000 rwxp 0001d000 03:06
200183     /opt/intel_fc_80/lib/libcxa.so.5
002a9000-00300000 rwxp 002a9000 00:00 0
00654000-00655000 rwxp 00654000 00:00 0
00934000-0093c000 r-xp 00000000 03:06 587126     /lib/librt-2.3.5.so
0093c000-0093d000 r-xp 00007000 03:06 587126     /lib/librt-2.3.5.so
0093d000-0093e000 rwxp 00008000 03:06 587126     /lib/librt-2.3.5.so
0093e000-00948000 rwxp 0093e000 00:00 0
00a34000-00a4e000 r-xp 00000000 03:06 587112     /lib/ld-2.3.5.so
00a4e000-00a4f000 r-xp 00019000 03:06 587112     /lib/ld-2.3.5.so
00a4f000-00a50000 rwxp 0001a000 03:06 587112     /lib/ld-2.3.5.so
00a59000-00a7d000 r-xp 00000000 03:06
200210     /opt/intel_fc_80/lib/libsvml.so
00a7d000-00aac000 rwxp 00023000 03:06
200210     /opt/intel_fc_80/lib/libsvml.so
00b7e000-00ba0000 r-xp 00000000 03:06 587114     /lib/libm-2.3.5.so
00ba0000-00ba1000 r-xp 00021000 03:06 587114     /lib/libm-2.3.5.so
00ba1000-00ba2000 rwxp 00022000 03:06 587114     /lib/libm-2.3.5.so
00ba4000-00ba6000 r-xp 00000000 03:06 587115     /lib/libdl-2.3.5.so
00ba6000-00ba7000 r-xp 00001000 03:06 587115     /lib/libdl-2.3.5.so
00ba7000-00ba8000 rwxp 00002000 03:06 587115     /lib/libdl-2.3.5.so
00ba9000-00bae000 r-xp 00000000 03:06
200213     /opt/intel_fc_80/lib/libunwind.so.5
00bae000-00baf000 rwxp 00004000 03:06
200213     /opt/intel_fc_80/lib/libunwind.so.5
00cec000-00d0e000 r-xp 00000000 03:06
489405     /opt/intel/mkl721/lib/32/libguide.so
00d0e000-00d13000 rwxp 00021000 03:06
489405     /opt/intel/mkl721/lib/32/libguide.so
00d13000-00d18000 rwxp 00d13000 00:00 0
00d31000-00d3f000 r-xp 00000000 03:06
587116     /lib/libpthread-2.3.5.so
00d3f000-00d40000 r-xp 0000d000 03:06
587116     /lib/libpthread-2.3.5.so
00d40000-00d41000 rwxp 0000e000 03:06
587116     /lib/libpthread-2.3.5.so
00d41000-00d43000 rwxp 00d41000 00:00 0
00dbc000-00dc5000 r-xp 00000000 03:06
587117     /lib/libgcc_s-4.0.0-20050520.so.1
00dc5000-00dc6000 rwxp 00009000 03:06
587117     /lib/libgcc_s-4.0.0-20050520.so.1
00dfc000-00e7e000 rwxp 00dfc000 00:00 0
00e95000-00e96000 r-xp 00e95000 00:00 0
00e96000-06e96000 rwxs 00000000 00:08 983041     /SYSV00000000 (deleted)
08048000-08528000 r-xp 00000000 03:07
1557240    /home/alex/programs/espresso-2.1.5/FPMD/fpmd.x
08528000-08583000 rwxp 004df000 03:07
1557240    /home/alex/programs/espresso-2.1.5/FPMD/fpmd.x
08583000-1beed000 rwxp 08583000 00:00 0
1d8f5000-1d938000 rwxp 1d8f5000 00:00 0          [heap]
b7e00000-b7e21000 rwxp b7e00000 00:00 0
b7e21000-b7f00000 --xp b7e21000 00:00 0
bfde3000-bfdf9000 rwxp bfde3000 00:00 0          [stack]
forrtl: error (76): IOT trap signal

./run_example: line 247: 22427 Killed                  $FPMD_COMMAND
<h2o-32.in >h2o-32.out
 done
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