My Community

I installed vasp.5.2.8 on a IBM POWER6 machine.
Operating system: AIX 6.1.3
Compiler: xlf 12.1.0.4

I built the excecutable using makefile.ibm_hlrn_serial with slight changes:
- linking lapack and linpack from vasp.5.lib
- adding a missing $ sign in the CPP variable
CPP = /usr/ccs/lib/cpp -P -DHOST=\"SP2/3/4\" -DMPI -DUSE_ZHEEVX \
-DCACHE_SIZE=5001 -Dessl $*.F >$*$(SUFFIX)
^
The only problem I encountered when compiling SUBROUTINE SETDIJ_AVEC in file nmr.F. This has been changed compared to version 5.2.2 of vasp:
- Declaration of AVTOT_ from COMPLEX(q) to COMPLEX(q),POINTER
- 11th parameter in CALL SETDIJ_AVEC_ from AVTOT_ to AVTOT_(1,1) (2 times)

This leads to a severe compilation error:
1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.

I have changed the 11th parameter in CALL SETDIJ_AVEC_ back to AVTOT_
With this the code is compiled successfully and the program works well.

With best regards

Ulrich Wedig

Thanks - that was also giving me problems on SciNet (trying for a simple linear compilation with xlf90) while using the makefile.rs6000
operating system AIX,
compiler xlf.