- Posts: 9
- Thank you received: 0
IO syntax error for ccsdt/acv6z for Ne atom
- huangbi
- Topic Author
- Offline
- New Member
Less
More
3 years 2 months ago - 3 years 2 months ago #1166
by huangbi
IO syntax error for ccsdt/acv6z for Ne atom was created by huangbi
Dear all,
I tried to run ccsdt/acv6z calcualtion for Ne atom using the binary version of mrcc-2020-02-22, but got this error:
forrtl: severe (59): list-directed I/O syntax error, unit 69, file /store/bing/small/cc3acv6z-nofc/ne/GENBAS
Image PC Routine Line Source
integ 00000000040FC158 Unknown Unknown Unknown
integ 0000000004134182 Unknown Unknown Unknown
integ 0000000000432D94 Unknown Unknown Unknown
integ 000000000041EA45 Unknown Unknown Unknown
integ 000000000040CACB Unknown Unknown Unknown
integ 000000000040723C Unknown Unknown Unknown
integ 0000000000404CA2 Unknown Unknown Unknown
libc-2.31.so 00007FA0356A50B3 __libc_start_main Unknown Unknown
integ 0000000000404BAE Unknown Unknown Unknown
Any idea how this happens?
Best,
Bing
PS: please see the attachments for MINP (ne-in.txt), basis (ne-basis.txt) & the complete output file (ne-out.txt) .
I tried to run ccsdt/acv6z calcualtion for Ne atom using the binary version of mrcc-2020-02-22, but got this error:
forrtl: severe (59): list-directed I/O syntax error, unit 69, file /store/bing/small/cc3acv6z-nofc/ne/GENBAS
Image PC Routine Line Source
integ 00000000040FC158 Unknown Unknown Unknown
integ 0000000004134182 Unknown Unknown Unknown
integ 0000000000432D94 Unknown Unknown Unknown
integ 000000000041EA45 Unknown Unknown Unknown
integ 000000000040CACB Unknown Unknown Unknown
integ 000000000040723C Unknown Unknown Unknown
integ 0000000000404CA2 Unknown Unknown Unknown
libc-2.31.so 00007FA0356A50B3 __libc_start_main Unknown Unknown
integ 0000000000404BAE Unknown Unknown Unknown
Any idea how this happens?
Best,
Bing
PS: please see the attachments for MINP (ne-in.txt), basis (ne-basis.txt) & the complete output file (ne-out.txt) .
Last edit: 3 years 2 months ago by huangbi.
Please Log in or Create an account to join the conversation.
- kallay
- Offline
- Administrator
- Mihaly Kallay
3 years 2 months ago #1167
by kallay
Best regards,
Mihaly Kallay
Replied by kallay on topic IO syntax error for ccsdt/acv6z for Ne atom
Dear Bing,
You need a space between 902400.00000000 and 135100.00000000 in your GENBAS file.
You need a space between 902400.00000000 and 135100.00000000 in your GENBAS file.
Best regards,
Mihaly Kallay
Please Log in or Create an account to join the conversation.
- huangbi
- Topic Author
- Offline
- New Member
Less
More
- Posts: 9
- Thank you received: 0
3 years 2 months ago #1168
by huangbi
Replied by huangbi on topic IO syntax error for ccsdt/acv6z for Ne atom
Dear Mihaly,
Thanks a lot! Problem solved! It's my bad to have failed to check the GENBAS file!
BTW, could you help me resolve thread #1161? www.mrcc.hu/index.php/forum/running-mrcc...rohf-ccsdt-2rdm#1161
I'd appreciate very much your time!
Best,
Bing
Thanks a lot! Problem solved! It's my bad to have failed to check the GENBAS file!
BTW, could you help me resolve thread #1161? www.mrcc.hu/index.php/forum/running-mrcc...rohf-ccsdt-2rdm#1161
I'd appreciate very much your time!
Best,
Bing
Please Log in or Create an account to join the conversation.
Time to create page: 0.040 seconds