UT theoretical chemistry code forum

Dear all,

I am trying to install VTST Tools. I found two files in vtstcode.tgz,
vasp-5.3.2-main.patch
vasp-5.3.2-mpmd.patch
So I tried to patch, but there was an error. The version of VASP is 5.3.5.
Does anyone know how to solve them?
Thank you.

---error message------------------------------------------------------------------------------------------
[]# patch < vasp-5.3.2-mpmd
patching file main.F
Hunk #1 succeeded at 403 (offset 29 lines).
Hunk #2 succeeded at 3078 (offset 166 lines).
[]# patch < vasp-5.3.2-mpmd.patch
patching file main_mpi.F
Hunk #1 succeeded at 55 (offset 6 lines).
Hunk #2 FAILED at 283.
1 out of 2 hunks FAILED -- saving rejects to file main_mpi.F.rej
patching file mpi.F
----------------------------------------------------------------------------------------------

---main_mpi.F.rej-------------------------------------------------------------------------
--- main_mpi.F (revision 40)
+++ main_mpi.F (working copy)
@@ -283,16 +307,24 @@
IF (KIMAGES>0.AND.COMM_WORLD%NODE_ME/=COMM_WORLD%IONODE) IO%IU6 = -1
IF (KIMAGES>0.AND.COMM_WORLD%NODE_ME/=COMM_WORLD%IONODE) IO%IU0 = -1

- IF (KPAR>1.AND.COMM_WORLD%NODE_ME/=COMM_WORLD%IONODE) IO%IU6 = -1
- IF (KPAR>1.AND.COMM_WORLD%NODE_ME/=COMM_WORLD%IONODE) IO%IU0 = -1
-
IF ( IO%IU0/=-1 .AND. IO%IU6 == -1) THEN
WRITE(*,*)'internal ERROR: io-unit problem',IO%IU0,IO%IU6
STOP
ENDIF

+ #if defined(VASP_MPMD)
+ IF (LMPMD) THEN
+ IF (IO%IU0>=0) WRITE (IO%IU0,'(A,A)') "MPMD: output directory ", DIR_APP(1:DIR_LEN)
+ ELSE
+ node=COMM_CHAIN%NODE_ME
+ CALL MAKE_DIR_APP(node)
+ ENDIF
+ #endif
+
+ #ifndef VASP_MPMD
node=COMM_CHAIN%NODE_ME
CALL MAKE_DIR_APP(node)
+ #endif

! if all nodes should write (giving complete mess) do not use the
! following line
--------------------------------------------------------------------------------------

These patches are only needed for a special version of VASP designed to run with our long timescale dynamics package Eon. The patches will only apply cleanly to VASP 5.3.2. If you do not plan on running VASP with Eon then there is no need to apply the patches.

Thank you very much for your comment.