IO syntax error for ccsdt/acv6z for Ne atom

More
1 year 1 month ago - 1 year 1 month ago #1166 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) 

File Attachment:

File Name: ne-basis.txt
File Size:12 KB
 

File Attachment:

File Name: ne-in.txt
File Size:0 KB
 

File Attachment:

File Name: ne-out.txt
File Size:4 KB
.
Attachments:
Last edit: 1 year 1 month ago by huangbi.

Please Log in or Create an account to join the conversation.

More
1 year 1 month ago #1167 by kallay
Dear Bing,
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.

More
1 year 1 month ago #1168 by huangbi
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

Please Log in or Create an account to join the conversation.

Time to create page: 0.042 seconds
Powered by Kunena Forum