[Wien] lapw2 SIGSEV (9.1)

2009-08-07 Thread Peter Blaha
static and/or dynamic linking ???

Laurence Marks schrieb:
 On a 32bit machine, I cannot get the latest lapw2 to run -- even
 dropping the compilation down to FOPT = -FR -mp1 -prec_div -C -g. I
 always get a SIGSEV on first entry into l2main, with nothing useful
 (to me anyway) showing up with idb. Dropping down to an older version
 works. Has anyone else seen this?
 
 ifort 10.1.018 , mkl 10.1.1.019
 


[Wien] lapw2 SIGSEV (9.1)

2009-08-07 Thread Gerhard Fecher
The answer of Intel is found in all release notes of the Fortran Compilers 8.0 
and higher:
... On Linux also note that many 32bit  Linux distributions ship with a pthread
static library ibpthread.a) that at runtime will fix the
stacksize to 2093056 bytes regardless of the ulimit setting. To
avoid this problem do not link with the -static option or the
{\it -fast} option. Instead of {\it -fast}, use options: {\it -ipo -O3
-no-prec-div -xP}. This only affects the 32bit {\scshape Linux}
distributions and does not apply to the 64bit {\scshape Linux}
distributions.

Thats why ulimit something does not help.

There are different ways, either use an older compiler or use 64 bit Linux.

Ciao
Gerhard


Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz

Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at 
zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [L-marks at 
northwestern.edu]
Gesendet: Freitag, 7. August 2009 00:35
An: A Mailing list for WIEN2k users
Betreff: [Wien] lapw2 SIGSEV (9.1)

On a 32bit machine, I cannot get the latest lapw2 to run -- even
dropping the compilation down to FOPT = -FR -mp1 -prec_div -C -g. I
always get a SIGSEV on first entry into l2main, with nothing useful
(to me anyway) showing up with idb. Dropping down to an older version
works. Has anyone else seen this?

ifort 10.1.018 , mkl 10.1.1.019

--
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering to study the structure of matter.
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien


[Wien] lapw2 SIGSEV (9.1)

2009-08-07 Thread Laurence Marks
The fix was to remove a -static option in the linking, at least for
the 32bit machines. (N.B., I would not recommend the options
-no-prec-div and instead would use -mpi -prec_div -ipo1; the options
you are using will be very slightly faster but at the expense of
accuracy, and -ipo1 is faster for execution and safe.)

I don't know what you meant by the NO! with respect to
/etc/csh.cshrc and ulimit. Even with a 64bit OS, depending upon
specific details of the OS (and these things are never standard) many
parameters such as stack-size limits, LD_LIBRARY_PATHS and other
environmental variables are not inherited from the calling shell.

On Fri, Aug 7, 2009 at 6:39 AM, Gerhard Fecherfecher at uni-mainz.de wrote:
 The answer of Intel is found in all release notes of the Fortran Compilers 
 8.0 and higher:
 ... On Linux also note that many 32bit ?Linux distributions ship with a 
 pthread
 static library ibpthread.a) that at runtime will fix the
 stacksize to 2093056 bytes regardless of the ulimit setting. To
 avoid this problem do not link with the -static option or the
 {\it -fast} option. Instead of {\it -fast}, use options: {\it -ipo -O3
 -no-prec-div -xP}. This only affects the 32bit {\scshape Linux}
 distributions and does not apply to the 64bit {\scshape Linux}
 distributions.

 Thats why ulimit something does not help.

 There are different ways, either use an older compiler or use 64 bit Linux.

 Ciao
 Gerhard

 
 Dr. Gerhard H. Fecher
 Institut of Inorganic and Analytical Chemistry
 Johannes Gutenberg - University
 55099 Mainz
 
 Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at 
 zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [L-marks at 
 northwestern.edu]
 Gesendet: Freitag, 7. August 2009 00:35
 An: A Mailing list for WIEN2k users
 Betreff: [Wien] lapw2 SIGSEV (9.1)

 On a 32bit machine, I cannot get the latest lapw2 to run -- even
 dropping the compilation down to FOPT = -FR -mp1 -prec_div -C -g. I
 always get a SIGSEV on first entry into l2main, with nothing useful
 (to me anyway) showing up with idb. Dropping down to an older version
 works. Has anyone else seen this?

 ifort 10.1.018 , mkl 10.1.1.019

 --
 Laurence Marks
 Department of Materials Science and Engineering
 MSE Rm 2036 Cook Hall
 2220 N Campus Drive
 Northwestern University
 Evanston, IL 60208, USA
 Tel: (847) 491-3996 Fax: (847) 491-7820
 email: L-marks at northwestern dot edu
 Web: www.numis.northwestern.edu
 Chair, Commission on Electron Crystallography of IUCR
 www.numis.northwestern.edu/
 Electron crystallography is the branch of science that uses electron
 scattering to study the structure of matter.
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien




-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering to study the structure of matter.


[Wien] lapw2 SIGSEV (9.1)

2009-08-07 Thread Gerhard Fecher
sorry if there is a misunderstanding,
the text below is nothing but an original part of the Intel Compiler Release 
Notes,
my recommendation that I usually give is indeed 
... -mp1 (not -mpi) -prec_div etc. ...
(note that Version 11 of the Fortran Compiler has some new switches to control 
the numerical precision of the calculation,
it usually depends also which type of optimization was selected, if the 
optimization does not touch the divisions,
there is no need to tell the compiler another time it should not do so. The 
switches to preserve the numeric precision are mainly
needed together with -O3, -fast or similar)

NO just means that you do not have a chance to have the stacksize larger than 2 
093 056 bytes
if your libpthread fixes the stacksize to that or whatever else value, 
and it seems you were running just into that trouble.


Ciao
Gerhard


Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz

Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at 
zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [L-marks at 
northwestern.edu]
Gesendet: Freitag, 7. August 2009 14:51
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] lapw2 SIGSEV (9.1)

The fix was to remove a -static option in the linking, at least for
the 32bit machines. (N.B., I would not recommend the options
-no-prec-div and instead would use -mpi -prec_div -ipo1; the options
you are using will be very slightly faster but at the expense of
accuracy, and -ipo1 is faster for execution and safe.)

I don't know what you meant by the NO! with respect to
/etc/csh.cshrc and ulimit. Even with a 64bit OS, depending upon
specific details of the OS (and these things are never standard) many
parameters such as stack-size limits, LD_LIBRARY_PATHS and other
environmental variables are not inherited from the calling shell.

On Fri, Aug 7, 2009 at 6:39 AM, Gerhard Fecherfecher at uni-mainz.de wrote:
 The answer of Intel is found in all release notes of the Fortran Compilers 
 8.0 and higher:
 ... On Linux also note that many 32bit  Linux distributions ship with a 
 pthread
 static library ibpthread.a) that at runtime will fix the
 stacksize to 2093056 bytes regardless of the ulimit setting. To
 avoid this problem do not link with the -static option or the
 {\it -fast} option. Instead of {\it -fast}, use options: {\it -ipo -O3
 -no-prec-div -xP}. This only affects the 32bit {\scshape Linux}
 distributions and does not apply to the 64bit {\scshape Linux}
 distributions.

 Thats why ulimit something does not help.

 There are different ways, either use an older compiler or use 64 bit Linux.

 Ciao
 Gerhard

 
 Dr. Gerhard H. Fecher
 Institut of Inorganic and Analytical Chemistry
 Johannes Gutenberg - University
 55099 Mainz
 
 Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at 
 zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [L-marks at 
 northwestern.edu]
 Gesendet: Freitag, 7. August 2009 00:35
 An: A Mailing list for WIEN2k users
 Betreff: [Wien] lapw2 SIGSEV (9.1)

 On a 32bit machine, I cannot get the latest lapw2 to run -- even
 dropping the compilation down to FOPT = -FR -mp1 -prec_div -C -g. I
 always get a SIGSEV on first entry into l2main, with nothing useful
 (to me anyway) showing up with idb. Dropping down to an older version
 works. Has anyone else seen this?

 ifort 10.1.018 , mkl 10.1.1.019

 --
 Laurence Marks
 Department of Materials Science and Engineering
 MSE Rm 2036 Cook Hall
 2220 N Campus Drive
 Northwestern University
 Evanston, IL 60208, USA
 Tel: (847) 491-3996 Fax: (847) 491-7820
 email: L-marks at northwestern dot edu
 Web: www.numis.northwestern.edu
 Chair, Commission on Electron Crystallography of IUCR
 www.numis.northwestern.edu/
 Electron crystallography is the branch of science that uses electron
 scattering to study the structure of matter.
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien




--
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering to study the structure of matter.
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien