Sent to CCL by: "ravinder suresh konda" [rkonda98_+_gmail.com]
hi sir while i am optimizing the 24 atom file by using the following
path
%mem=512mb
# opt=(calcall,maxcycle=200) mp2/6-311++g(d,p) scf=(qc,maxcycle=2048)
but i am getting the error
dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk =
512
defal = T LstWrd = 67072 FType=2
FMxFil=10000
Number 0
Base 20480
End 67072
End1 67072
Wr Pntr 20480
Rd Pntr 20480
Length 46592
Error termination in NtrErr:
NtrErr called from FIOCnC.
who to over come plz tell me
2Q:another qustion sir 24 atom file same path that can be optimized
by Gaussian09 but Gaussian 03 is not showing the vibrational
levels.so
that's
i taken the Gaussian 09 output file as a input file and i optimized
than i am getting the
Error termination in NtrErr:
NtrErr called from FIOCnC. why and how to over come pl z tell me sir
thank you
Ravinder konda
email:rkonda98-*-gmail.com
School of Physical Sciences
Swami Ramanand Teerth Marathwada University
Nanded-431606
(Maharashtra-INDIA)
-= This is automatically added to each message by the mailing script
=-
To recover the email address of the author of the message, please
change> Conferences:
http://server.ccl.net/chemistry/announcements/conferences/