Vasp 5.2.2 - serial compiled using PGI 6.1-1
Posted: Tue Jun 02, 2009 12:54 pm
Compiling vasp versions using the PGI compilers on our HPC turns out to become a nightmare for me. Vasp 4.6.31 compiles fine in serial and parallel mode using the PGI 6.1-1. PGI 7.1-1 and PGI 8.0-6 produce code that always fails during runtime, no matter if serial or parallel versions are tiried ... While I can't (yet) decide, if these errors are related to the setup of the compiler, the problem arising when compiling Vasp 5.2.2 using the PGI 6.1-1 appear code-related.
Here is the error:
line 609 points to the last line of SUBROUTINE PW_NORM_WITH_METRIC_W1
609: END SUBROUTINE PW_NORM_WITH_METRIC_W1
just BEFORE SUBROUTINE HAMILT starts
Here is the error:
Code: Select all
./preprocess <hamil.F | /usr/bin/cpp -P -C -traditional >hamil.f90 -DHOST=\"LinuxPGF\" -Dkind8 -DNGXhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -Duse_cray_ptr
pgf90 -lowercase -O2 -c hamil.f90
hamil.f90:
Lowering Error: array upper bound is not a symbol for datatype 1701
PGF90-F-0000-Internal compiler error. Errors in Lowering 1 (hamil.f90: 609)
PGF90/any Linux/x86-64 6.1-2: compilation aborted
609: END SUBROUTINE PW_NORM_WITH_METRIC_W1
just BEFORE SUBROUTINE HAMILT starts