[Smeagol-discuss] calculation problems

wlxyfeng at mail.ustc.edu.cn wlxyfeng at mail.ustc.edu.cn
Thu Dec 11 04:56:17 GMT 2008


Dear all,
  Now we use smeagol to do some test, the problem is that it always stops before
finishing all the calculations. The test is the second case of J. Chem. Phys.
129, 074710(2008). All the files are attached here, and name.txt contains all the
names of all the output files.
  We can't get the PDOS files, but others are given before the process's
interruption. We have complied the smeagol several times, but nothing changed. 
  Any suggestions are welcome. Thanks a lot!
  Regards,
Xiaoyan 


-------------- next part --------------
A non-text attachment was scrubbed...
Name: arch.make
Type: application/octet-stream
Size: 754 bytes
Desc: not available
Url : http://lists.tchpc.tcd.ie/pipermail/smeagol-discuss/attachments/20081211/958634bb/attachment-0003.obj 
-------------- next part --------------
A non-text attachment was scrubbed...
Name: DB.fdf
Type: application/vnd.fdf
Size: 14013 bytes
Desc: not available
Url : http://lists.tchpc.tcd.ie/pipermail/smeagol-discuss/attachments/20081211/958634bb/attachment-0001.bin 
-------------- next part --------------
A non-text attachment was scrubbed...
Name: DB.out
Type: application/octet-stream
Size: 85889 bytes
Desc: not available
Url : http://lists.tchpc.tcd.ie/pipermail/smeagol-discuss/attachments/20081211/958634bb/attachment-0004.obj 
-------------- next part --------------
A non-text attachment was scrubbed...
Name: DB-8-new.o6957
Type: application/octet-stream
Size: 3501 bytes
Desc: not available
Url : http://lists.tchpc.tcd.ie/pipermail/smeagol-discuss/attachments/20081211/958634bb/attachment-0005.obj 
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: name.txt
Url: http://lists.tchpc.tcd.ie/pipermail/smeagol-discuss/attachments/20081211/958634bb/attachment-0001.txt 


More information about the Smeagol-discuss mailing list