[Wien] seg fault in lapw1 on Opteron with PGI-6.0 / acml

[C J Kenneth Tan -- OptimaNumerics]

Olivier,

This looks like a problem that originated from DCOPY, which is from
ACML, if you are using ACML for linear algebra.  

We have had Wien2k running with OptimaNumerics Libraries.  Let me know
if you would like to use OptimaNumerics Libraries.


Kenneth Tan
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On 2005-05-12 17:45 -0700 Olivier Delaire (delaire at caltech.edu) wrote:

> Date: Thu, 12 May 2005 17:45:41 -0700
> From: Olivier Delaire <delaire at caltech.edu>
> Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> To: wien at zeus.theochem.tuwien.ac.at
> Subject: [Wien] seg fault in lapw1 on Opteron with PGI-6.0 / acml
> 
> Dear wien2k users,
> 
> We are trying to compile wien2k-5.3 on Linux-Debian running on Opterons. We
> are using PGI-6.0 and the ACML that ships with it. The code compiles, and
> init/lapw0 work fine, but lapw1 gives a segmentation fault. We have tried
> compiling with optimization set to -O3 and -O0. Turning on the debug flag -g
> and using gdb, we get the following message indicating a problem in
> "dcopy_()":
> 
> (gdb) set args lapw1.def
> (gdb) run
> Starting program: /usr/use/amd64-linux/wien2kpgi6-05.3/bin/lapw1 lapw1.def
> 
> Program received signal SIGSEGV, Segmentation fault.
> 0x0000000000448e1a in dcopy_ ()
> (gdb) where
> #0  0x0000000000448e1a in dcopy_ ()
> #1  0x000000000040c75c in dscgst (n=781, ab=0x2a96a62020, ldab=781,
> abdiag=0x815890,
>    panelb=0x2a975c4020, info=0) at dscgst.f:111
> #2  0x000000000043fda5 in seclr4 () at seclr4_tmp_.F:203
> #3  0x0000000000408f35 in calkpt () at calkpt_tmp_.F:194
> #4  0x0000000000427d93 in lapw1 () at lapw1_tmp_.F:51
> #5  0x0000000000401e7e in main ()
> (gdb) q
> 
> Has anyone experienced this problem before? What are the compiling options
> recommended for linux / opteron / PGI-6 ?
> 
> Thanks in advance,
> Olivier.
> 
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>