UT theoretical chemistry code forum

At least the difference we found: vasp.6.1.2_patched/src/main.F:913: CALL chain_init( T_INFO, IO) vasp.6.2.0/src/main.F:889: IF (LCHAIN) CALL chain_init( T_INFO, IO) Just removing the conditional fixed the error and at least the first tests passed fine. But this is a rough fix, and maybe messes some...

Dear Graeme, thanks and I hope all is well (as can be in these times) in Texas! We got it built now, but have run into a fault in the VASP tests. Specifically it is runs fine (electron energy minimization), until it throws a segfault with the first tests that come with vasp. It looks like it segfaul...

I compiled VASP 6.2 with VTST (using the 180 version) and although it seemed to compile correctly, the VTST options were clearly ignored when running the code. This was using examples that worked on VASP 5.4.4. I don't exclude stupidity on my part, but has anyone got it working on 6.2?

Cheers,

Adam