qexml error when porting from PW
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Re: qexml error when porting from PW
Which version of ifort is it? 11
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- Conor Hogan
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Re: qexml error when porting from PW
Dear Fariba,
Thanks. One thing: please update your signature to contain your name and affiliation, you can do it through the user control panel.
Looking at your config.log file:
I see you use --with-p2y=4.0.5. However, this is not an option supported by configure:
and hence the code uses the default version, which is 3.2 (probably could be changed now), as appears in config.log (but also in the configure output, which you didnt post)
try with --p2y=4.0 and let me know if it works.
Conor
Thanks. One thing: please update your signature to contain your name and affiliation, you can do it through the user control panel.
Looking at your config.log file:
Code: Select all
$ ./configure --with-iotk=/home/espresso-4.0.5/iotk --with-p2y=4.0.5 FC=ifort CC=icc
Code: Select all
./configure --help :
[...]
--with-p2y=<mode> Interface mode in PW 2 YAMBO : <export> <3.1>
<3.1.1> <3.2> <4.0>
Code: Select all
PW_CPP='_P2Y_V32'
PW_VER='3.2'
Conor
Dr. Conor Hogan
CNR-ISM, via Fosso del Cavaliere, 00133 Roma, Italy;
Department of Physics and European Theoretical Spectroscopy Facility (ETSF),
University of Rome "Tor Vergata".
CNR-ISM, via Fosso del Cavaliere, 00133 Roma, Italy;
Department of Physics and European Theoretical Spectroscopy Facility (ETSF),
University of Rome "Tor Vergata".
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qexml error when porting from PW
ifort 11
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- andrea marini
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Re: qexml error when porting from PW
Dear Fariba, you had already told us that you're using ifort 11, rightFariba Nazari wrote:ifort 11

Instead, did you try using --p2y=4.0 as conor suggested you ? And, please, include your complete affiliation in your signature
Cheers
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)
Istituto di Struttura della Materia, CNR, (Italy)
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Re: qexml error when porting from PW
Dear Conor Hogan,
I did the configure with ver 4.o but it dosn't work but p2y works with ver 3.2.3.
Reagrds
Fariba Nazari
Iasbs
I did the configure with ver 4.o but it dosn't work but p2y works with ver 3.2.3.
Reagrds
Fariba Nazari
Iasbs
- Conor Hogan
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- Contact:
Re: qexml error when porting from PW
Dear Fariba,
Once again we ask you to please add your full affiliation to your signature...
Can you be more specific:
Did you try:
or
If the case is B, then everything is working consistently.
If the case is A, then I guess you can continue working.
I assume the data-file.xml file is the same (created by 4.0.5), right?
However, am I right in understanding that the following:
does not work?
If this is the case (C), please post the (gzipped) make.sys and config.log files from the espresso-4.0.5 compilation directory, as well as the new config.log from the yambo compilation directory (so three files).
The data-file.xml file you sent me appears to work ok on my machine, so its not easy to guess whats happeneing without this information.
Regards,
Conor
Once again we ask you to please add your full affiliation to your signature...
Can you be more specific:
Did you try:
Code: Select all
A: configure --with-pw=4.0 --with-iotk=....espresso-3.2.3/iotk
Code: Select all
B: configure --with-pw=3.2 --with-iotk=....espresso-3.2.3/iotk
If the case is A, then I guess you can continue working.
I assume the data-file.xml file is the same (created by 4.0.5), right?
However, am I right in understanding that the following:
Code: Select all
C: configure --with-pw=4.0 --with-iotk=....espresso-4.0.5/iotk
If this is the case (C), please post the (gzipped) make.sys and config.log files from the espresso-4.0.5 compilation directory, as well as the new config.log from the yambo compilation directory (so three files).
The data-file.xml file you sent me appears to work ok on my machine, so its not easy to guess whats happeneing without this information.
Regards,
Conor
Dr. Conor Hogan
CNR-ISM, via Fosso del Cavaliere, 00133 Roma, Italy;
Department of Physics and European Theoretical Spectroscopy Facility (ETSF),
University of Rome "Tor Vergata".
CNR-ISM, via Fosso del Cavaliere, 00133 Roma, Italy;
Department of Physics and European Theoretical Spectroscopy Facility (ETSF),
University of Rome "Tor Vergata".