UT theoretical chemistry code forum

Merry Christmas, Graeme et al.

I have recently compiled VASP 4.6 +VTST and have tremendous problems gettign VTST to work. When I turn VTST optimizer on, calculation aborts with bunch of core dump files and no particular error. I I try the same settings on VASP optimizer, it has no problems. Any advice would be appreciated.

I will try to upload compressed file below, not sure if there are any size limits but my uploads repeatedly fail

Jonas

strange thing, I can;t upload, when I click Add the file it uploads something but then it refreshes the page and there is no file added

My bad; I didn't update the php settings to allow upload of large files. It should work now.

there we go, see attached. strangest thing, I am sure it's a problem with compile but not sure what went wrong, not enough experience, I could post makefile if you need it

figured might be better if I added the makefile as well

I see that the Results_VTST/Ni_slab_VTST calculation stops soon after the program starts, but I don't see any error messages. Without that, or a core file, I won't be able to debug the problem. Also, your comment that there were compilation errors is not encouraging. We have not used or supported vasp.4.* in quite a while, but if you had some compilation errors or a traceback from the corefile, that might help us find the problem.