Hi,
what is the experience with the FIRE optimizer? Is it as fast as claimed in conjunction with NEB as well?
Is it possible to use your optimizers with a regular VASP run (no TS search just ionic relaxation)?
Thanks
Search found 2 matches
- Wed Feb 07, 2007 2:43 pm
- Forum: VTSTTools
- Topic: New optimizer
- Replies: 9
- Views: 17801
- Mon Sep 25, 2006 10:21 am
- Forum: VTSTTools
- Topic: CVS vtstcode and optimizer
- Replies: 2
- Views: 11378
CVS vtstcode and optimizer
Hi, I downloaded the vtstcode from the CVS server but I have trouble to compile the sources with the pgf 5.2 compiler: /opt/mpich2/bin/mpif90 -Mfree -tp k8-64 -i4 -O3 -fast -fastsse -c bfgs.f90 PGF90-S-0083-Vector expression used where scalar expression required (bfgs.f90: 92) PGF90-W-0189-Argument ...