Hi everybody...
As it turns out, I'm having the same problem, trying to run the NEB example that I downloaded from http://nwchemgit.github.io/images/QMMM_NEB_example1.tgz. I get the same error when attempting to run my own NEB input script (modeled on the example). I found a description of the same problem on the old EMSL mailing list (http://www.emsl.pnl.gov/docs/nwchem/nwchem-support/2010/11/0001.Re:_NWCHEM_Error_running_N...), but couldn't track down the solution. I tried following the suggestion that Marat posted there and adding
set qmmm:neb_region qmlink
to my input file, but this didn't have any noticeable effect. The error message is:
util_file_name_resolve: filename too small 262
For the record, the full path of the directory I'm running this in is only 33 characters long. When I tried relocating to a directory that is only 30 characters long, the error message is still
util_file_name_resolve: filename too small 262
so I suspect this isn't the problem. When I rename my scratch directory from ./data to ./d there is no change; renaming the permanent directory from ./perm to ./p changes the error output to
util_file_name_resolve: filename too small 259
finally, when I change the line specifying the permanent directory in the input file from
permanent_dir ./p
to
permanent_dir /home/craig/Projects/nwchem/q/p
the error message is now
util_file_name_resolve: filename too small 287
reflecting the difference in length between those directory names. It looks like NWChem is trying to append a string that is already 256 characters long to whatever permanent directory name I give it.
Finally, if I try extending the length of the filename buffer by modifying src/util/util.fh to
parameter (nw_max_path_len = 511)
and rebuild (after a "make realclean") the error message is unchanged. I poked around a bit in util_file_name.F, but I don't know fortran so I've reached the limit of my debugging abilities. How should I modify util_file_name.F to tell me what the offending file name actually is? Any other ideas about what to try next?
Thanks,
-craig
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