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 Department of Chemistry phone: +1-919-962-1579 Venable Hall CB#3290 (Kenan C148) fax: +1-919-843-6041 Chapel Hill, NC 27599, USA GnuPG key: 44BCCD8E _______________________________________________ Bug-sh-utils mailing list [EMAIL PROTECTED] http://mail.gnu.org/mailman/listinfo/bug-sh-utils
