[Columbus] cigrd error bummer (fatal):rdhcid: from sifrh1, ierr=

Zhen Lu zhl146 at gmail.com
Sun Feb 15 11:18:31 EST 2015


Hello Everyone,

I am trying to run a geometry optimization on a 16 atom system. I am
attempting to optimize a minimum on the 3rd state (S2).

When I run the optimization calculation, it fails after the first iteration
with the following error:

Error occurred in cigrd.x  errno=256

 *** Error occured! ***

 === runc.error ===
end of hernew
 IGNORING BNDCHK
*** End of DALTON calculation ***
end of mcdrt
end of mcuft
end of mcscf
end of mcpc
end of mcpc
end of mcpc
end of cidrt
 prnopt=                     0
end of tran
global arrays:                1677270   (             12.80 MB)
vdisk:                              0   (              0.00 MB)
drt:                         59999994   (            228.88 MB)
================================================================================
 using                      1  npartitions of size                     1 .
pliste=   0
 using                      1  npartitions of size                     1 .
pliste=   0
 Main memory management:
 global                1 DP per process
 vdisk                 0 DP per process
 stack                 0 DP per process
 core         1048575999 DP per process

 intermediate da file sorting parameters:
 nbuk=   2 lendar=   32767 nipbk=   21844 nipsg=1048390200
  waiting after driverwrap ....                     0
 Allocating             1048575999  for ci step ...
 bummer (warning):inf%bufszi too small ... resetting to
30317
end of ciudg
 numv1=                  1274
end of cipc
end of cidrt
 prnopt=                     0
end of tran
 allocate: status=                     0
 bummer (fatal):rdhcid: from sifrh1, ierr=                     -1
bummer
===================================


Can anyone tell me what this means? I am running the latest version of
Columbus 7 (april 2014)

Thanks,
Zhen
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