Hello,
I got error messages of running big CCSD(T) jobs.
This molecule is running with aQ basis set, totally 1500 basis functions and 48 correlated orbitals (28 in the core).
1) With version of 6.3, at the step of CCSD,
the error shows "eaf_write: rc ne bytes -1999 bytes 295714328
ccsd_sxy: write failed 5"
I requested 16 cores per node on CASCADE.
Does that mean I need to use less cores per node ?
2) Also I tried the version of 6.5, also at the CCSD step,
got the error message :
000: g_st2 size: 19855 MB
000: mem. avail 20698 MB
000: Not enough mem for st2. Increase MA by 3296
000: MB
000: Not Enough Memory to keep ST2 in local mem
I already put lots of stack memory, around 20000mb, do i need to put more ?
I thik it is too much. There maybe something wrong.
Is it necessary to put more global memory at the same time ?
Thanks a lot.
Zongtang
|