[molpro-user] How can one use Argos integral program (sorry if this post appears twice)
Evgeniy Gromov
Evgeniy.Gromov at pci.uni-heidelberg.de
Wed May 8 19:15:29 BST 2013
Dear Developers and Users of Molpro,
I would like to use the Argos integral program which
according to the manual can be switched to with the
keyword INTYP=INTP. However the job crashes when I do
so, with the error:
FILE 1 RECORD 1290 OFFSET= 0. NOT FOUND
Records on file 1
IREC NAME TYPE OFFSET LENGTH IMPLEMENTATION EXT PREV
PARENT MPP_STATE
1 500 VAR 4096. 102002. df 0 0
0 0
2 610 BASINP 106098. 8192. df 0 0
0 0
3 700 GEOM 114290. 24454. df 0 0
0 0
4 900 SYMINP 138744. 282. df 0 0
0 0
5 950 ZMAT 139026. 127. df 0 0
0 0
6 970 AOBASIS 139153. 271. df 0 0
0 0
7 1000 BASIS 139424. 1082. df 0 0
0 0
8 129 P2S 140506. 132. df 0 0
0 0
9 960 ABASIS 140638. 195. df 0 0
0 0
10 1100 S 140833. 214. df 0 0
0 0
11 1400 T 141047. 214. df 0 0
0 0
12 1410 V 141261. 214. df 0 0
0 0
13 1200 H0 141475. 214. df 0 0
0 0
14 1210 H01 141689. 214. df 0 0
0 0
15 1080 AOSYM 141903. 41. df 0 0
0 0
16 1600 SMH 141944. 212. df 0 0
0 0
17 1300 ERIS 142156. 50121. df 0 0
0 0
? Error
? Record not found
? The problem occurs in readm
ERROR EXIT
CURRENT STACK: MAIN
I wonder if it is possible to fix it.
Many thanks!
Best regards,
Evgeniy
--
_______________________________________
Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg
Germany
Telefon: +49/(0)6221/545263
Fax: +49/(0)6221/545221
E-mail: evgeniy at pci.uni-heidelberg.de
_______________________________________
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