[Wien] error In source file qmix7.F
Does the error occur only after several scf cycles? Always after the same number of cycles ? Did you modify case.inm in some strange way ? Also: ls -als *.broy* Which files exist and what size do they have ?? Am 28.05.2011 15:50, schrieb mouhamed mahdi: > Dear Prof. Perer Blaha, > thank you for your help ; i 'v the same problem > >Do you have enough disk space ? >yes > >Otherwise: > > > rm *.broy* > > x mixer > > cat case.scfm >> case.scf > > runsp > i v done all what you ask me but it remains the same error: > stop error > > > In source file qmix7.F, at line number 258 > File name = Fe3ML-Ag3ML.broyd2009unformatted, sequential access > record = 1 > PGFIO-F-219/unformatted read/unit=32/attempt to read/write past end of record. > > > > CORE END > CORE END > LAPW2 END > LAPW2 END > LAPW1 END > LAPW1 END > LAPW0 END > in cycle 17ETEST: .0002150 CTEST: .00358471 > > PLEASE what can I do to this error ; and i m ready for any questions > > > > ___ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- - Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pblaha at theochem.tuwien.ac.at -
[Wien] Problem installing MPICH2
to cut and paste the line was generated this space, but the. bashrc are correct
Jos? A. Camargo Mart?nez
De: Laurence Marks
Para: A Mailing list for WIEN2k users
Enviado: s?b,28 mayo, 2011 11:46
Asunto: Re: [Wien] Problem installing MPICH2
It is hard to know for certain, but I wonder why you have a space
between the first "/" and the "opt" in the lines you sent, i.e.
/ opt/intel/composerxe-2011.3.174/compiler/lib/intel64
^
For certain you have some minor issue/typo. Try "which ifort", and
write a hello_world.f then compile it (I think there are some simple
makefile examples on the web).
2011/5/28 Jose Alfredo Camargo Martinez :
> I have already tried:
>
> export FC = ifort
> export F77 = ifort
>
> and see the same error
>
> /bin/bash: ifort: orden no encontrada (command not found)
> make[3]: *** [setbotf.o] Error 127
>
> any idea?
>
> Jos? A. Camargo Mart?nez
>
>
>
> De: Robert Laskowski
> Para: A Mailing list for WIEN2k users
> Enviado: s?b,28 mayo, 2011 09:33
> Asunto: Re: [Wien] Problem installing MPICH2
>
> hi,
>
> try export F77=ifort
>
> regards
>
> Robert
>
> On Saturday, May 28, 2011 01:04:42 Jose Alfredo Camargo Martinez wrote:
>> Dear community
>>
>> I try to install MPICH2-1.3.2p1 on Ubuntu 10.04. (to work in parallel)
>>
>> I already have installation of ifort (Intel ? Fortran Compiler for Linux *
>> XE Composer), its source and path are defined. bashrc, as follows:
>>
>> PATH = "/ opt/intel/composerxe-2011.3.174/bin/intel64: $ {PATH}"
>> export PATH
>> #
>> MANPATH = "/ opt/intel/composerxe-2011.3.174/man: $ {MANPATH}"
>> export MANPATH
>> #
>> LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/mkl/lib/intel64: $
>> LD_LIBRARY_PATH"
>> LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/compiler/lib/intel64:
>> $ LD_LIBRARY_PATH"
>> export LD_LIBRARY_PATH
>> #
>> INCLUDE = / opt/intel/composerxe-2011.3.174/mkl/include: $ INCLUDE
>> export INCLUDE
>> #
>> source /opt/intel/composerxe-2011.3.174/mkl/bin/mklvars.sh Intel64
>> source /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>> #
>> IFLPATH export = / opt/intel/composerxe-2011.3.174/compiler/lib
>> MKLPATH export = / opt/intel/composerxe-2011.3.174/mkl/lib/intel64
>>
>> . / opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>>
>> Followingthe installation steps:
>>
>> 1)
>> sork at sork:~/Escritorio/mpich2-1.3.2p1$./configure--prefix=/opt/mpich2
>> .
>> .
>> config.status: executing default-3 commands
>> Configuration completed.
>> sork at sork:~/Escritorio/mpich2-1.3.2p1$
>>
>>
>> 2)
>> sork at sork:~/Escritorio/mpich2-1.3.2p1$ sudo make
>> .
>> .
>> /bin/bash: ifort: orden no encontrada
>> make[3]: *** [setbotf.o] Error 127
>> make[3]: se sale del directorio
>> ?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding/f77?
>> make[2]: *** [all-redirect] Error 1
>> make[2]: se sale del directorio
>> ?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding?
>> make[1]: *** [all-redirect] Error 2
>> make[1]: se sale del directorio ?/home/sork/Escritorio/mpich2-1.3.2p1/src?
>> make: *** [all-redirect] Error 2
>> sork at sork:~/Escritorio/mpich2-1.3.2p1$
>> ___
>>
>> I have read many forums where they say I define the source and paht of
>> ifort. (already done)
>>
>> I've used (written in. bashrc)
>>
>> . /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>> export FC=ifort
>>
>> but the same error appears
>>
>> What am I doing wrong?
>> Can you help?
>>
>>
>> Best regards,
>>
>> Jos? A. Camargo Mart?nez
>
> --
> Dr Robert Laskowski
> Vienna University of Technology, Institute of Materials Chemistry,
> Getreidemarkt 9/165-TC, A-1060 Vienna, Austria
> tel. +43 1 58801 15675 Fax +43 1 58801 15698
>
> ___
> 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/
Research is to see what everybody else has seen, and to think what
nobody else has thought
Albert Szent-Gyorgi
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
-- next part --
An HTML attachment was scrubbed...
URL:
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110528/7aac3a8d/attachment.htm>
[Wien] Problem installing MPICH2
Ihave alreadytried:
export FC = ifort
export F77 = ifort
and see the same error
/bin/bash: ifort: orden no encontrada (command not found)
make[3]: *** [setbotf.o] Error 127
any idea?
Jos? A. Camargo Mart?nez
De: Robert Laskowski
Para: A Mailing list for WIEN2k users
Enviado: s?b,28 mayo, 2011 09:33
Asunto: Re: [Wien] Problem installing MPICH2
hi,
try export F77=ifort
regards
Robert
On Saturday, May 28, 2011 01:04:42 Jose Alfredo Camargo Martinez wrote:
> Dear community
>
> I try to install MPICH2-1.3.2p1 on Ubuntu 10.04. (to work in parallel)
>
> I already have installation of ifort (Intel ? Fortran Compiler for Linux *
> XE Composer), its source and path are defined. bashrc, as follows:
>
> PATH = "/ opt/intel/composerxe-2011.3.174/bin/intel64: $ {PATH}"
> export PATH
> #
> MANPATH = "/ opt/intel/composerxe-2011.3.174/man: $ {MANPATH}"
> export MANPATH
> #
> LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/mkl/lib/intel64: $
> LD_LIBRARY_PATH"
> LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/compiler/lib/intel64:
> $ LD_LIBRARY_PATH"
> export LD_LIBRARY_PATH
> #
> INCLUDE = / opt/intel/composerxe-2011.3.174/mkl/include: $ INCLUDE
> export INCLUDE
> #
> source /opt/intel/composerxe-2011.3.174/mkl/bin/mklvars.sh Intel64
> source /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
> #
> IFLPATH export = / opt/intel/composerxe-2011.3.174/compiler/lib
> MKLPATH export = / opt/intel/composerxe-2011.3.174/mkl/lib/intel64
>
> . / opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>
> Followingthe installation steps:
>
> 1)
> sork at sork:~/Escritorio/mpich2-1.3.2p1$./configure--prefix=/opt/mpich2
> .
> .
> config.status: executing default-3 commands
> Configuration completed.
> sork at sork:~/Escritorio/mpich2-1.3.2p1$
>
>
> 2)
> sork at sork:~/Escritorio/mpich2-1.3.2p1$ sudo make
> .
> .
> /bin/bash: ifort: orden no encontrada
> make[3]: *** [setbotf.o] Error 127
> make[3]: se sale del directorio
> ?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding/f77?
> make[2]: *** [all-redirect] Error 1
> make[2]: se sale del directorio
> ?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding?
> make[1]: *** [all-redirect] Error 2
> make[1]: se sale del directorio ?/home/sork/Escritorio/mpich2-1.3.2p1/src?
> make: *** [all-redirect] Error 2
> sork at sork:~/Escritorio/mpich2-1.3.2p1$
> ___
>
> I have read many forums where they say I define the source and paht of
> ifort. (already done)
>
> I've used (written in. bashrc)
>
> . /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
> export FC=ifort
>
> but the same error appears
>
> What am I doing wrong?
> Can you help?
>
>
> Best regards,
>
> Jos? A. Camargo Mart?nez
--
Dr Robert Laskowski
Vienna University of Technology, Institute of Materials Chemistry,
Getreidemarkt 9/165-TC, A-1060 Vienna, Austria
tel. +43 1 58801 15675 Fax +43 1 58801 15698
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
-- next part --
An HTML attachment was scrubbed...
URL:
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110528/795a1f43/attachment.htm>
[Wien] Problem installing MPICH2
hi,
try export F77=ifort
regards
Robert
On Saturday, May 28, 2011 01:04:42 Jose Alfredo Camargo Martinez wrote:
> Dear community
>
> I try to install MPICH2-1.3.2p1 on Ubuntu 10.04. (to work in parallel)
>
> I already have installation of ifort (Intel ? Fortran Compiler for Linux *
> XE Composer), its source and path are defined. bashrc, as follows:
>
> PATH = "/ opt/intel/composerxe-2011.3.174/bin/intel64: $ {PATH}"
> export PATH
> #
> MANPATH = "/ opt/intel/composerxe-2011.3.174/man: $ {MANPATH}"
> export MANPATH
> #
> LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/mkl/lib/intel64: $
> LD_LIBRARY_PATH"
> LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/compiler/lib/intel64:
> $ LD_LIBRARY_PATH"
> export LD_LIBRARY_PATH
> #
> INCLUDE = / opt/intel/composerxe-2011.3.174/mkl/include: $ INCLUDE
> export INCLUDE
> #
> source /opt/intel/composerxe-2011.3.174/mkl/bin/mklvars.sh Intel64
> source /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
> #
> IFLPATH export = / opt/intel/composerxe-2011.3.174/compiler/lib
> MKLPATH export = / opt/intel/composerxe-2011.3.174/mkl/lib/intel64
>
> . / opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>
> Followingthe installation steps:
>
> 1)
> sork at sork:~/Escritorio/mpich2-1.3.2p1$./configure--prefix=/opt/mpich2
> .
> .
> config.status: executing default-3 commands
> Configuration completed.
> sork at sork:~/Escritorio/mpich2-1.3.2p1$
>
>
> 2)
> sork at sork:~/Escritorio/mpich2-1.3.2p1$ sudo make
> .
> .
> /bin/bash: ifort: orden no encontrada
> make[3]: *** [setbotf.o] Error 127
> make[3]: se sale del directorio
> ?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding/f77?
> make[2]: *** [all-redirect] Error 1
> make[2]: se sale del directorio
> ?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding?
> make[1]: *** [all-redirect] Error 2
> make[1]: se sale del directorio ?/home/sork/Escritorio/mpich2-1.3.2p1/src?
> make: *** [all-redirect] Error 2
> sork at sork:~/Escritorio/mpich2-1.3.2p1$
> ___
>
> I have read many forums where they say I define the source and paht of
> ifort. (already done)
>
> I've used (written in. bashrc)
>
> . /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
> export FC=ifort
>
> but the same error appears
>
> What am I doing wrong?
> Can you help?
>
>
> Best regards,
>
> Jos? A. Camargo Mart?nez
--
Dr Robert Laskowski
Vienna University of Technology, Institute of Materials Chemistry,
Getreidemarkt 9/165-TC, A-1060 Vienna, Austria
tel. +43 1 58801 15675 Fax +43 1 58801 15698
[Wien] error In source file qmix7.F
Dear Prof. Perer Blaha, thank you for your help ; i 'v the same problem >Do you have enough disk space ? yes >Otherwise: > rm *.broy* > x mixer > cat case.scfm >> case.scf > runsp i v done all what you ask me but it remains the same error: stop error In source file qmix7.F, at line number 258 File name = Fe3ML-Ag3ML.broyd2009unformatted, sequential access record = 1 PGFIO-F-219/unformatted read/unit=32/attempt to read/write past end of record. CORE END CORE END LAPW2 END LAPW2 END LAPW1 END LAPW1 END LAPW0 END in cycle 17ETEST: .0002150 CTEST: .00358471 PLEASE what can I do to this error ; and i m ready for any questions -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110528/8006e90d/attachment.htm>
[Wien] Problem installing MPICH2
N.B., I would hope the version you have of mpich2 is modern enough to
use autoconf, which would have detected any issues and told you.
Otherwise you may have to edit someone's makefile. to set various
things right.
On Sat, May 28, 2011 at 12:52 PM, Laurence Marks
wrote:
> If "make" is not finding ifort:
> a) You have your PATH wrong, in which case compilation of
> hello_world.f will fail. Also do "env" and wade through.
> b) You do not have execute permissions for ifort (licence?)
> c) You have a broken make (try gmake).
>
> N.B., ?the straight mpich2 is somewhat old, you may want to consider
> mvapich and/or openmpi both of which are more modern products and
> probably better for most things.
>
> N.N.B., you really should ask on the mpich mailing list, but they will
> tell you the same thing. There is something wrong with the user end of
> things, 99% certain (or you have a broken OS, or corrupt mpich2
> distribution, 1%).
>
> 2011/5/28 Jose Alfredo Camargo Martinez :
>> to cut and paste the line was generated this space, but the. bashrc are
>> correct
>>
>> Jos? A. Camargo Mart?nez
>>
>> De: Laurence Marks
>> Para: A Mailing list for WIEN2k users
>> Enviado: s?b,28 mayo, 2011 11:46
>> Asunto: Re: [Wien] Problem installing MPICH2
>>
>> It is hard to know for certain, but I wonder why you have a space
>> between the first "/" and the "opt" in the lines you sent, i.e.
>>
>> / opt/intel/composerxe-2011.3.174/compiler/lib/intel64
>> ^
>>
>> For certain you have some minor issue/typo. Try "which ifort", and
>> write a hello_world.f then compile it (I think there are some simple
>> makefile examples on the web).
>>
>> 2011/5/28 Jose Alfredo Camargo Martinez :
>>> I have already tried:
>>>
>>> export FC = ifort
>>> export F77 = ifort
>>>
>>> and see the same error
>>>
>>> /bin/bash: ifort: orden no encontrada (command not found)
>>> make[3]: *** [setbotf.o] Error 127
>>>
>>> any idea?
>>>
>>> Jos? A. Camargo Mart?nez
>>>
>>>
>>>
>>> De: Robert Laskowski
>>> Para: A Mailing list for WIEN2k users
>>> Enviado: s?b,28 mayo, 2011 09:33
>>> Asunto: Re: [Wien] Problem installing MPICH2
>>>
>>> hi,
>>>
>>> try export F77=ifort
>>>
>>> regards
>>>
>>> Robert
>>>
>>> On Saturday, May 28, 2011 01:04:42 Jose Alfredo Camargo Martinez wrote:
Dear community
I try to install MPICH2-1.3.2p1 on Ubuntu 10.04. (to work in parallel)
I already have installation of ifort (Intel ? Fortran Compiler for Linux
*
XE Composer), its source and path are defined. bashrc, as follows:
PATH = "/ opt/intel/composerxe-2011.3.174/bin/intel64: $ {PATH}"
export PATH
#
MANPATH = "/ opt/intel/composerxe-2011.3.174/man: $ {MANPATH}"
export MANPATH
#
LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/mkl/lib/intel64: $
LD_LIBRARY_PATH"
LD_LIBRARY_PATH = "/
opt/intel/composerxe-2011.3.174/compiler/lib/intel64:
$ LD_LIBRARY_PATH"
export LD_LIBRARY_PATH
#
INCLUDE = / opt/intel/composerxe-2011.3.174/mkl/include: $ INCLUDE
export INCLUDE
#
source /opt/intel/composerxe-2011.3.174/mkl/bin/mklvars.sh Intel64
source /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
#
IFLPATH export = / opt/intel/composerxe-2011.3.174/compiler/lib
MKLPATH export = / opt/intel/composerxe-2011.3.174/mkl/lib/intel64
. / opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
Followingthe installation steps:
1)
sork at sork:~/Escritorio/mpich2-1.3.2p1$./configure--prefix=/opt/mpich2
.
.
config.status: executing default-3 commands
Configuration completed.
sork at sork:~/Escritorio/mpich2-1.3.2p1$
2)
sork at sork:~/Escritorio/mpich2-1.3.2p1$ sudo make
.
.
/bin/bash: ifort: orden no encontrada
make[3]: *** [setbotf.o] Error 127
make[3]: se sale del directorio
?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding/f77?
make[2]: *** [all-redirect] Error 1
make[2]: se sale del directorio
?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding?
make[1]: *** [all-redirect] Error 2
make[1]: se sale del directorio
?/home/sork/Escritorio/mpich2-1.3.2p1/src?
make: *** [all-redirect] Error 2
sork at sork:~/Escritorio/mpich2-1.3.2p1$
___
I have read many forums where they say I define the source and paht of
ifort. (already done)
I've used (written in. bashrc)
.? /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
? export FC=ifort
but the same error appears
What am I doing wrong?
Can you help?
Best regards,
Jos? A. Camargo Mart?nez
>>>
>>> --
>>> Dr Robert Laskowski
>>> Vienna University of Technology,? Institute of Materials Chemistry,
>>> Getreidemarkt 9/165-TC, A-1060 Vienna, Austria
>>> tel. +43 1 58801 15675? ? ? ? ? ? ? Fax? +43 1 5880
[Wien] Problem installing MPICH2
If "make" is not finding ifort:
a) You have your PATH wrong, in which case compilation of
hello_world.f will fail. Also do "env" and wade through.
b) You do not have execute permissions for ifort (licence?)
c) You have a broken make (try gmake).
N.B., the straight mpich2 is somewhat old, you may want to consider
mvapich and/or openmpi both of which are more modern products and
probably better for most things.
N.N.B., you really should ask on the mpich mailing list, but they will
tell you the same thing. There is something wrong with the user end of
things, 99% certain (or you have a broken OS, or corrupt mpich2
distribution, 1%).
2011/5/28 Jose Alfredo Camargo Martinez :
> to cut and paste the line was generated this space, but the. bashrc are
> correct
>
> Jos? A. Camargo Mart?nez
>
> De: Laurence Marks
> Para: A Mailing list for WIEN2k users
> Enviado: s?b,28 mayo, 2011 11:46
> Asunto: Re: [Wien] Problem installing MPICH2
>
> It is hard to know for certain, but I wonder why you have a space
> between the first "/" and the "opt" in the lines you sent, i.e.
>
> / opt/intel/composerxe-2011.3.174/compiler/lib/intel64
> ^
>
> For certain you have some minor issue/typo. Try "which ifort", and
> write a hello_world.f then compile it (I think there are some simple
> makefile examples on the web).
>
> 2011/5/28 Jose Alfredo Camargo Martinez :
>> I have already tried:
>>
>> export FC = ifort
>> export F77 = ifort
>>
>> and see the same error
>>
>> /bin/bash: ifort: orden no encontrada (command not found)
>> make[3]: *** [setbotf.o] Error 127
>>
>> any idea?
>>
>> Jos? A. Camargo Mart?nez
>>
>>
>>
>> De: Robert Laskowski
>> Para: A Mailing list for WIEN2k users
>> Enviado: s?b,28 mayo, 2011 09:33
>> Asunto: Re: [Wien] Problem installing MPICH2
>>
>> hi,
>>
>> try export F77=ifort
>>
>> regards
>>
>> Robert
>>
>> On Saturday, May 28, 2011 01:04:42 Jose Alfredo Camargo Martinez wrote:
>>> Dear community
>>>
>>> I try to install MPICH2-1.3.2p1 on Ubuntu 10.04. (to work in parallel)
>>>
>>> I already have installation of ifort (Intel ? Fortran Compiler for Linux
>>> *
>>> XE Composer), its source and path are defined. bashrc, as follows:
>>>
>>> PATH = "/ opt/intel/composerxe-2011.3.174/bin/intel64: $ {PATH}"
>>> export PATH
>>> #
>>> MANPATH = "/ opt/intel/composerxe-2011.3.174/man: $ {MANPATH}"
>>> export MANPATH
>>> #
>>> LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/mkl/lib/intel64: $
>>> LD_LIBRARY_PATH"
>>> LD_LIBRARY_PATH = "/
>>> opt/intel/composerxe-2011.3.174/compiler/lib/intel64:
>>> $ LD_LIBRARY_PATH"
>>> export LD_LIBRARY_PATH
>>> #
>>> INCLUDE = / opt/intel/composerxe-2011.3.174/mkl/include: $ INCLUDE
>>> export INCLUDE
>>> #
>>> source /opt/intel/composerxe-2011.3.174/mkl/bin/mklvars.sh Intel64
>>> source /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>>> #
>>> IFLPATH export = / opt/intel/composerxe-2011.3.174/compiler/lib
>>> MKLPATH export = / opt/intel/composerxe-2011.3.174/mkl/lib/intel64
>>>
>>> . / opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>>>
>>> Followingthe installation steps:
>>>
>>> 1)
>>> sork at sork:~/Escritorio/mpich2-1.3.2p1$./configure--prefix=/opt/mpich2
>>> .
>>> .
>>> config.status: executing default-3 commands
>>> Configuration completed.
>>> sork at sork:~/Escritorio/mpich2-1.3.2p1$
>>>
>>>
>>> 2)
>>> sork at sork:~/Escritorio/mpich2-1.3.2p1$ sudo make
>>> .
>>> .
>>> /bin/bash: ifort: orden no encontrada
>>> make[3]: *** [setbotf.o] Error 127
>>> make[3]: se sale del directorio
>>> ?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding/f77?
>>> make[2]: *** [all-redirect] Error 1
>>> make[2]: se sale del directorio
>>> ?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding?
>>> make[1]: *** [all-redirect] Error 2
>>> make[1]: se sale del directorio
>>> ?/home/sork/Escritorio/mpich2-1.3.2p1/src?
>>> make: *** [all-redirect] Error 2
>>> sork at sork:~/Escritorio/mpich2-1.3.2p1$
>>> ___
>>>
>>> I have read many forums where they say I define the source and paht of
>>> ifort. (already done)
>>>
>>> I've used (written in. bashrc)
>>>
>>> .? /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>>>? export FC=ifort
>>>
>>> but the same error appears
>>>
>>> What am I doing wrong?
>>> Can you help?
>>>
>>>
>>> Best regards,
>>>
>>> Jos? A. Camargo Mart?nez
>>
>> --
>> Dr Robert Laskowski
>> Vienna University of Technology,? Institute of Materials Chemistry,
>> Getreidemarkt 9/165-TC, A-1060 Vienna, Austria
>> tel. +43 1 58801 15675? ? ? ? ? ? ? Fax? +43 1 58801 15698
>>
>> ___
>> 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
>
[Wien] Problem installing MPICH2
It is hard to know for certain, but I wonder why you have a space
between the first "/" and the "opt" in the lines you sent, i.e.
/ opt/intel/composerxe-2011.3.174/compiler/lib/intel64
^
For certain you have some minor issue/typo. Try "which ifort", and
write a hello_world.f then compile it (I think there are some simple
makefile examples on the web).
2011/5/28 Jose Alfredo Camargo Martinez :
> I have already tried:
>
> export FC = ifort
> export F77 = ifort
>
> and see the same error
>
> /bin/bash: ifort: orden no encontrada (command not found)
> make[3]: *** [setbotf.o] Error 127
>
> any idea?
>
> Jos? A. Camargo Mart?nez
>
>
>
> De: Robert Laskowski
> Para: A Mailing list for WIEN2k users
> Enviado: s?b,28 mayo, 2011 09:33
> Asunto: Re: [Wien] Problem installing MPICH2
>
> hi,
>
> try export F77=ifort
>
> regards
>
> Robert
>
> On Saturday, May 28, 2011 01:04:42 Jose Alfredo Camargo Martinez wrote:
>> Dear community
>>
>> I try to install MPICH2-1.3.2p1 on Ubuntu 10.04. (to work in parallel)
>>
>> I already have installation of ifort (Intel ? Fortran Compiler for Linux *
>> XE Composer), its source and path are defined. bashrc, as follows:
>>
>> PATH = "/ opt/intel/composerxe-2011.3.174/bin/intel64: $ {PATH}"
>> export PATH
>> #
>> MANPATH = "/ opt/intel/composerxe-2011.3.174/man: $ {MANPATH}"
>> export MANPATH
>> #
>> LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/mkl/lib/intel64: $
>> LD_LIBRARY_PATH"
>> LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/compiler/lib/intel64:
>> $ LD_LIBRARY_PATH"
>> export LD_LIBRARY_PATH
>> #
>> INCLUDE = / opt/intel/composerxe-2011.3.174/mkl/include: $ INCLUDE
>> export INCLUDE
>> #
>> source /opt/intel/composerxe-2011.3.174/mkl/bin/mklvars.sh Intel64
>> source /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>> #
>> IFLPATH export = / opt/intel/composerxe-2011.3.174/compiler/lib
>> MKLPATH export = / opt/intel/composerxe-2011.3.174/mkl/lib/intel64
>>
>> . / opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>>
>> Followingthe installation steps:
>>
>> 1)
>> sork at sork:~/Escritorio/mpich2-1.3.2p1$./configure--prefix=/opt/mpich2
>> .
>> .
>> config.status: executing default-3 commands
>> Configuration completed.
>> sork at sork:~/Escritorio/mpich2-1.3.2p1$
>>
>>
>> 2)
>> sork at sork:~/Escritorio/mpich2-1.3.2p1$ sudo make
>> .
>> .
>> /bin/bash: ifort: orden no encontrada
>> make[3]: *** [setbotf.o] Error 127
>> make[3]: se sale del directorio
>> ?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding/f77?
>> make[2]: *** [all-redirect] Error 1
>> make[2]: se sale del directorio
>> ?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding?
>> make[1]: *** [all-redirect] Error 2
>> make[1]: se sale del directorio ?/home/sork/Escritorio/mpich2-1.3.2p1/src?
>> make: *** [all-redirect] Error 2
>> sork at sork:~/Escritorio/mpich2-1.3.2p1$
>> ___
>>
>> I have read many forums where they say I define the source and paht of
>> ifort. (already done)
>>
>> I've used (written in. bashrc)
>>
>> .? /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
>>? export FC=ifort
>>
>> but the same error appears
>>
>> What am I doing wrong?
>> Can you help?
>>
>>
>> Best regards,
>>
>> Jos? A. Camargo Mart?nez
>
> --
> Dr Robert Laskowski
> Vienna University of Technology,? Institute of Materials Chemistry,
> Getreidemarkt 9/165-TC, A-1060 Vienna, Austria
> tel. +43 1 58801 15675? ? ? ? ? ? ? Fax? +43 1 58801 15698
>
> ___
> 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/
Research is to see what everybody else has seen, and to think what
nobody else has thought
Albert Szent-Gyorgi
[Wien] error In source file qmix7.F
Doing a search on "PGFIO-F-219" this looks like it is a standard problem which in some cases occurs with some compilers and/or broken systems, see links below. http://www.atmos.umd.edu/~sjlee/grads/ex1/a.f90 https://listserv.fysik.dtu.dk/pipermail/campos/2003-June/000569.html You will need to provide much more information: What compiler (version number, not just type) What OS What File system (32 or 64 bit) What version of WIen2k (the latest one does not do any I/O on line 258 What version of gcc and g++ (needed as this matters for I/O). Maybe someone can trace this then (but perhaps not). 2011/5/28 mouhamed mahdi : > Dear Prof. Perer Blaha, > > thank you for your help ; i 'v the same problem >>Do you have enough disk space ? > ? yes > >>Otherwise: > >>?? rm *.broy* >>?? x mixer >>?? cat case.scfm >> case.scf >>?? runsp > i v done all what you ask me but it remains the same error: > > stop error > > > In source file qmix7.F, at line number 258 > File name = Fe3ML-Ag3ML.broyd2009??? unformatted, sequential access > record = 1 > PGFIO-F-219/unformatted read/unit=32/attempt to read/write past end of > record. > > > > CORE? END > CORE? END > LAPW2 END > LAPW2 END > LAPW1 END > LAPW1 END > LAPW0 END > in cycle 17??? ETEST: .0002150?? CTEST: .00358471 > > PLEASE what can I do to this error ;?and i m ready for any questions > ___ > 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/ Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi
[Wien] Problem installing MPICH2
Dear community
I try to install MPICH2-1.3.2p1 on Ubuntu 10.04. (to work in parallel)
I already have installation of ifort (Intel ? Fortran Compiler for Linux * XE
Composer), its source and path are defined. bashrc, as follows:
PATH = "/ opt/intel/composerxe-2011.3.174/bin/intel64: $ {PATH}"
export PATH
#
MANPATH = "/ opt/intel/composerxe-2011.3.174/man: $ {MANPATH}"
export MANPATH
#
LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/mkl/lib/intel64: $
LD_LIBRARY_PATH"
LD_LIBRARY_PATH = "/ opt/intel/composerxe-2011.3.174/compiler/lib/intel64: $
LD_LIBRARY_PATH"
export LD_LIBRARY_PATH
#
INCLUDE = / opt/intel/composerxe-2011.3.174/mkl/include: $ INCLUDE
export INCLUDE
#
source /opt/intel/composerxe-2011.3.174/mkl/bin/mklvars.sh Intel64
source /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
#
IFLPATH export = / opt/intel/composerxe-2011.3.174/compiler/lib
MKLPATH export = / opt/intel/composerxe-2011.3.174/mkl/lib/intel64
. / opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
Followingthe installation steps:
1)
sork at sork:~/Escritorio/mpich2-1.3.2p1$./configure--prefix=/opt/mpich2
.
.
config.status: executing default-3 commands
Configuration completed.
sork at sork:~/Escritorio/mpich2-1.3.2p1$
2)
sork at sork:~/Escritorio/mpich2-1.3.2p1$ sudo make
.
.
/bin/bash: ifort: orden no encontrada
make[3]: *** [setbotf.o] Error 127
make[3]: se sale del directorio
?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding/f77?
make[2]: *** [all-redirect] Error 1
make[2]: se sale del directorio
?/home/sork/Escritorio/mpich2-1.3.2p1/src/binding?
make[1]: *** [all-redirect] Error 2
make[1]: se sale del directorio ?/home/sork/Escritorio/mpich2-1.3.2p1/src?
make: *** [all-redirect] Error 2
sork at sork:~/Escritorio/mpich2-1.3.2p1$
___
I have read many forums where they say I define the source and paht of ifort.
(already done)
I've used (written in. bashrc)
. /opt/intel/composerxe-2011.3.174/bin/ifortvars.sh Intel64
export FC=ifort
but the same error appears
What am I doing wrong?
Can you help?
Best regards,
Jos? A. Camargo Mart?nez
-- next part --
An HTML attachment was scrubbed...
URL:
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110528/60a1106d/attachment.htm>
