Problems running VASP: crashes, internal errors, "wrong" results.
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pkroll
- Newbie
- Posts: 28
- Joined: Tue Jun 14, 2005 2:48 pm
#1
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by pkroll » 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:
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
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
Last edited by
pkroll on Tue Jun 02, 2009 12:54 pm, edited 1 time in total.
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support_vasp
- Global Moderator
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- Joined: Mon Nov 18, 2019 11:00 am
#2
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by support_vasp » Wed Sep 04, 2024 2:08 pm
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP