CCL:G: Error termination in NtrErr: NtrErr called from FIOCnC.



 Sent to CCL by: zvitnik [zvitnik++chem.bg.ac.rs]
 Hi,
 
Try to enlarge the amount of memory %Mem= (no more than half of the available on your sistem).
 You do not need calcall if you do not calculate transition state.
 To get vibrations add Freq to your keywords list.
 Best regards,
 ZV
 On 2014-08-16 12:16, ravinder suresh konda rkonda98|a|gmail.com wrote:
 
 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)
 
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