[CP2K-user] Error while attempting to read the Hessian file

[Torstein Fjermestad]

Dear all, 

I have optimized a geometry that resulted in two imaginary frequencies. As 
a first attempt to get rid of these frequencies, I prepared a geometry 
optimization job where the Hessian is read at the start. 

Unfortunately, I get an error related to the reading of the file.  The 
following is printed in the standard error:

forrtl: severe (24): end-of-file during read, unit 1, file 
/path/H-ZSM-5-Al-T12-Hessian-1.hess
Image              PC                Routine            Line        Source
cp2k.popt          00000000093E267E  for__io_return        Unknown  Unknown
cp2k.popt          00000000094121CF  for_read_seq_xmit     Unknown  Unknown
cp2k.popt          000000000940F2F7  for_read_seq          Unknown  Unknown
cp2k.popt          00000000028AC106  Unknown               Unknown  Unknown
cp2k.popt          0000000000559FAE  Unknown               Unknown  Unknown
cp2k.popt          00000000005752B5  Unknown               Unknown  Unknown
cp2k.popt          000000000049877E  Unknown               Unknown  Unknown
cp2k.popt          0000000000497342  Unknown               Unknown  Unknown
cp2k.popt          000000000046E132  Unknown               Unknown  Unknown
cp2k.popt          000000000944AD22  main                  Unknown  Unknown
libc-2.17.so       00002AB59DE5C505  __libc_start_main     Unknown  Unknown
cp2k.popt          000000000046D629  Unknown               Unknown  Unknown

The part of the input file where the Hessian is read is as follows:
&GEO_OPT
     TYPE  MINIMIZATION
     OPTIMIZER  BFGS
     MAX_ITER  10000
     MAX_DR     3.0000000000000001E-03
     MAX_FORCE     4.4999999999999999E-04
     RMS_DR     1.5000000000000000E-03
     RMS_FORCE     2.9999999999999997E-04
     STEP_START_VAL  0
       &BFGS
       TRUST_RADIUS     2.5000000000000000E-01
       USE_MODEL_HESSIAN  T
       USE_RAT_FUN_OPT  F
       RESTART_HESSIAN  T
       *RESTART_FILE_NAME H-ZSM-5-Al-T12-Hessian-1.hess*
       &END BFGS
&END GEO_OPT

Am I doing something wrong or is the Hessian file corrupted?
How can I proceed to troubleshoot the issue?

Thanks in advance for your help. 
Regards,
Torstein

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210128/378a4f6d/attachment.htm>