[molpro-user] molpro's job sudden death

[psc]

Good morning, by any chance does anybody have any experiences with
sudden death of molpro? On our place this happen when runs on 8 cores in
machine with 2*4 cores machine? It runs fine for awhile, but then
suddenly dies ... before the job dies, the machine still have enough
memory and the disk is only 32% filled.  Do you have any clues of what
is happening? How do you troubleshoot such problems with molpro? The
computational chemist tried to run same job on  4 cores and the job runs
just fine.

Thanks!

This is the last portion of the output file:

 DF-MP2-F12 correlation energies:
 --------------------------------
 Approx.                                    Singlet             Triplet
Ecorr            Total Energy
 DF-MP2                                -2.105468770835    
-1.481892024291 -3.587360795125  -1241.433614075391
 DF-MP2-F12/3*C(DX,FIX)                -3.180235173011    
-1.762556768679 -4.942791941690  -1242.789045221956
 DF-MP2-F12/3*C(FIX)                   -3.079029486269    
-1.791231138096 -4.870260624365  -1242.716513904631
 DF-MP2-F12/3C(FIX)                    -3.076495219986    
-1.793891105189 -4.870386325175  -1242.716639605441

 SCS-DF-MP2 energies (F_SING= 1.20000  F_TRIP= 0.62222  F_PARALLEL=
0.33333):

----------------------------------------------------------------------------

 SCS-DF-MP2                            -3.448628673449  -1241.294881953715
 SCS-DF-MP2-F12/3*C(DX,FIX)            -4.912984197013  -1242.759237477279
 SCS-DF-MP2-F12/3*C(FIX)               -4.809379202782  -1242.655632483048
 SCS-DF-MP2-F12/3C(FIX)                -4.807993173879  -1242.654246454144

 Symmetry transformation completed.

 Number of N-1 electron functions:              63
 Number of N-2 electron functions:            2016
 Number of singly external CSFs:             19467
 Number of doubly external CSFs:         189491778
 Total number of CSFs:                   189511246

 Pair and operator lists are different

 Length of J-op  integral file:             163.14 GB
 Length of K-op  integral file:             113.78 GB
 Length of 3-ext integral record:             0.00 MB

 Memory could be reduced to2370.6 Mword without degradation in triples


forrtl: error (69): process interrupted (SIGINT)
forrtl: error (69): process interrupted (SIGINT)
forrtl: error (69): process interrupted (SIGINT)
forrtl: error (69): process interrupted (SIGINT)
forrtl: error (69): process interrupted (SIGINT)
forrtl: error (69): process interrupted (SIGINT)
forrtl: error (69): process interrupted (SIGINT)
Image              PC                Routine            Line        Source
molprop_2009_1_Li  000000000262888F  Unknown               Unknown  Unknown
molprop_2009_1_Li  00000000025FFB96  Unknown               Unknown  Unknown
molprop_2009_1_Li  000000000219B509  Unknown               Unknown  Unknown
molprop_2009_1_Li  000000000219C545  Unknown               Unknown  Unknown
molprop_2009_1_Li  000000000219F48D  Unknown               Unknown  Unknown
molprop_2009_1_Li  000000000171D1F7  Unknown               Unknown  Unknown
molprop_2009_1_Li  00000000017184C5  Unknown               Unknown  Unknown
molprop_2009_1_Li  00000000004BAD99  Unknown               Unknown  Unknown
molprop_2009_1_Li  00000000004B5AE5  Unknown               Unknown  Unknown
molprop_2009_1_Li  000000000043DD2C  Unknown               Unknown  Unknown
libc.so.6          00007F91CAF48ABD  Unknown               Unknown  Unknown
molprop_2009_1_Li  000000000043DC29  Unknown               Unknown  Unknown
[0]0:Return code = 0, signaled with Killed
[0]1:Return code = 1
[0]2:Return code = 1
[0]3:Return code = 1
[0]4:Return code = 1
[0]5:Return code = 1
[0]6:Return code = 1
[0]7:Return code = 1