Dalton problems 2: Too long input record (ERI)

Problem

My CC calculations stopped with the forrtl: severe (22): input record too long, unit 9, file /tmp/niewod/RhbCCS/betaccs_rhb631+gd/CCSD_IAJB error message.

Answer

I changed four things and the job finished properly.

• First I changed a machine, but both were Itanium.
• Next I lowered the print level from 3 to 2.
• In the original jobfile I requested a direct calculation in a CC part, in the new one I put .DIRECT keyword in a main part (for all calculations).
• Finally I requested more memory (1900mb).

I got the proper results but the calculations end with error 32. It means forrtl: severe (32): invalid logical unit number, unit -10001, file unknown I reran jobs with new commands at the first machine, and it worked. Next I upgraded print level to 3 and job finished with success. So the issue could be cause by small amount of requested memory or direct/non-direct calculation in a HF,MP2 or CC calculation.

Files

• betacssi-old.dal
• betacssi-new.dal
• rhb631+gd.mol
• betaccs_rhb631+gd.out
• RhbCCS.e127210
• RhbCCS.o127210
• betaccs_h2co.out