vasp 5.2.12
Posted: Tue Jul 26, 2011 7:25 pm
All help and comments most gratefully received.
I tried to build vasp 5.2.12 using the supplied make file for ibmxl fortran "makefile.ibm_hlrn"
I am working on "SciNet" TCS:
OS = AIX 5.3
IBM POWER6 nodes
I am using the version of the IBM fortran compiler, xlf which was tested in the makefile:
IBM XL Fortran for AIX, V12.1
Version: 12.01.0000.0009
The module "vdw_nl.f" will not compile.
There appears to be a problem with the way that the subroutine SPLINE is called - the compiler reports (using -qsource option):
###########################################
271 | call SPLINE(dk,phik(:,alf,bet),Nr+1,0._q,0._q,d2phik_work)
.....................a.............................................
a - "vdw_nl.f", line 271.21: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.
633 | call SPLINE(dint1, dinb, nintg, 0._q, 0._q, ders)
...................a....................................
a - "vdw_nl.f", line 633.19: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.
636 | call SPLINE(dint1, dina, nintg, 0._q, 0._q, ders)
.................a....................................
a - "vdw_nl.f", line 636.17: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.
846 | REAL(q) :: yp1,ypn,x(n),y(n),y2(n),dx
............a.................................
a - "vdw_nl.f", line 846.12: 1516-050 (S) Expression or initial value must be evaluated at compile time.
848 | REAL(q) :: p,q,sig,un,u(n)
............a.....................
a - "vdw_nl.f", line 848.12: 1516-050 (S) Expression or initial value must be evaluated at compile time.
** vdw_ll === End of Compilation 1 ===
** vdw_calc === End of Compilation 2 ===
** vdw_calc_spin === End of Compilation 3 ===
1501-511 Compilation failed for file vdw_nl.f.
############################################
This appears to be a section of code that is new since 5.2.11 - all help would be most gratefully received.
best regards... Iain McNab
I tried to build vasp 5.2.12 using the supplied make file for ibmxl fortran "makefile.ibm_hlrn"
I am working on "SciNet" TCS:
OS = AIX 5.3
IBM POWER6 nodes
I am using the version of the IBM fortran compiler, xlf which was tested in the makefile:
IBM XL Fortran for AIX, V12.1
Version: 12.01.0000.0009
The module "vdw_nl.f" will not compile.
There appears to be a problem with the way that the subroutine SPLINE is called - the compiler reports (using -qsource option):
###########################################
271 | call SPLINE(dk,phik(:,alf,bet),Nr+1,0._q,0._q,d2phik_work)
.....................a.............................................
a - "vdw_nl.f", line 271.21: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.
633 | call SPLINE(dint1, dinb, nintg, 0._q, 0._q, ders)
...................a....................................
a - "vdw_nl.f", line 633.19: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.
636 | call SPLINE(dint1, dina, nintg, 0._q, 0._q, ders)
.................a....................................
a - "vdw_nl.f", line 636.17: 1513-061 (S) Actual argument attributes do not match those specified by an accessible explicit interface.
846 | REAL(q) :: yp1,ypn,x(n),y(n),y2(n),dx
............a.................................
a - "vdw_nl.f", line 846.12: 1516-050 (S) Expression or initial value must be evaluated at compile time.
848 | REAL(q) :: p,q,sig,un,u(n)
............a.....................
a - "vdw_nl.f", line 848.12: 1516-050 (S) Expression or initial value must be evaluated at compile time.
** vdw_ll === End of Compilation 1 ===
** vdw_calc === End of Compilation 2 ===
** vdw_calc_spin === End of Compilation 3 ===
1501-511 Compilation failed for file vdw_nl.f.
############################################
This appears to be a section of code that is new since 5.2.11 - all help would be most gratefully received.
best regards... Iain McNab