bohup / molpro don't work together ?

[Jochen Küpper]

Dear All,

I do have some problems with the molpro quantum chemistry program
exiting due to Signal 1 (Hangup) even though it is run through
nohup. The hangup-exit is reproducible and happens after the program
is running for hours or days.

This is with molpro-2002.1, nohup (GNU sh-utils) 2.0 on a
Linux-2.4.9/glibc-2.2.4 (RedHat-7.1 with all updates) system.

The program was started using
,----
| nohup molpro --nouse-logfile file.inp &
`----

The nohup.out file is
,----
| Received signal 1 Hangup
`----
The end of one such molpro output is
,----
|   12      1.27153574    -0.66273230 -2688.44378962    -0.00000006     
0.00000000  0.18D-11  0.12D-11  6  4   669.75
|   13      1.27153570    -0.66273230 -2688.44378961     0.00000001     
0.00000000  0.33D-12  0.34D-12  6  5   721.07
| 
|  Norm of t1 vector:      0.00551757      S-energy:     0.00000000      T1 
diagnostic:  0.01119819
|  Norm of t2 vector:      0.26601812      P-energy:    -0.66273230
| 
|  Memory could be reduced to  24.2 Mword without degradation in triples
| 
|  ERROR EXIT
| 
| 
|  
**********************************************************************************************************************************
|  DATASETS  * FILE   NREC   LENGTH (MB)   RECORD NAMES
|               1      19      569.32       700      600      500      960      
900      950     1000     1100     1400     1410   
|                                          GEOM    BASINP     VAR    ABASIS   
SYMINP    ZMAT     BASIS      S        T        V 
|                                          1200     1210     1080     1600      
129     1650     1300     1700     1380   
|                                           H0       H01     AOSYM     SMH      
P2S    MOLCAS    ERIS     OPER     JKOP   
|  
|               2       5        0.76       500      600      700     1000     
2100   
|                                           VAR    BASINP    GEOM     BASIS     
RHF  
|  
|               5       5        9.05      4000     4001     4002     7005     
3600   
|  
|               6       3       17.88      4000     4001     7006   
|  
|               7       3       11.73      4200     4201     4100   
|  
|               8       1        8.35      5400   
|  
|  PROGRAMS   *      CCSD(T)   CCSD(T)    HF-SCF       INT   RESTART
|  CPU TIMES  *     91179.04   1493.08     19.97    106.29      0.00
|  REAL TIME  *  1880 MIN,24.85 SEC     CPU TIME *  1546 MIN,38.44 SEC     I/O 
TIME *     1 MIN,19.56 SEC
|  DISK USED  *         1.15 GB
|  
**********************************************************************************************************************************
`----
Both files do have the same write-time.


Any hints are appreciated.

Greetings,
Jochen
-- 
University of North Carolina                       phone: +1-919-962-4403
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