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Hello,

I need help on installing vasp5.2 on our IBM 1600 cluster.

Platform:
CPU: Power5+
Compiler: IBM XL Fortran for AIX, V12.1
OS: AIX 5.3

When I compile the codes in src/vasp.5.2, I had the following errors:

-bash-3.00$ make
mpxlf_r -qfree=f90 -qessl -qsource -q64 -O4 -qarch=auto -qtune=auto -qcache=auto -c hamil.f
728 | CALL RACC(NONLR_S, W1, CDIJ, CQIJ, ISP, EVALUE, CWORK1)
...............................a...............................
a - "hamil.f", line 728.31: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.
789 | CALL RACCMU_(NONLR_S, WDES1, W1, CDIJ, CQIJ, ISP, EVALUE, CWORK1)
.........................................a...............................
a - "hamil.f", line 789.41: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.
867 | CALL RACCMU_(NONLR_S, WDES1, W1, CDIJ, CQIJ, ISP, EVALUE,CWORK1)
.........................................a..............................
a - "hamil.f", line 867.41: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.
943 | CALL RACCMU_(NONLR_S, WDES1, W1, CDIJ, CQIJ, ISP, EVALUE,CWORK1)
.........................................a..............................
a - "hamil.f", line 943.41: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.
1011 | CALL RACCMU_C_(NONLR_S, WDES1, W1, CDIJ, CQIJ, ISP, EVALUE,CWORK1)
...........................................a..............................
a - "hamil.f", line 1011.43: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.


Looking in hamil.f for the first error in line 728, the definition of CDIJ is as follow:

REAL(q) CDIJ(:,:,:,:),CQIJ(:,:,:,:)


In subroutine RACC, CDIJ is defined as


IMPLICIT COMPLEX(q) (C)
IMPLICIT REAL(q) (A-B,D-H,O-Z)

TYPE (nonlr_struct) NONLR_S
TYPE (wavefun1) W1
COMPLEX(q) CRACC(:)
OVERLAP CDIJ(:,:,:,:),CQIJ(:,:,:,:)


My questions:

1. What is OVERLAP? Is it a key word? or user defined type? or anything else?
2. Is CDIJ defined as COMPLEX(q) in subroutine RACC? How could it be passed as REAL(p) in the caller?

Thanks,

PL

Hi,

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