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Re: qexml error when porting from PW
Posted: Wed Nov 04, 2009 12:54 pm
by Fariba Nazari
Which version of ifort is it? 11
Re: qexml error when porting from PW
Posted: Wed Nov 04, 2009 1:26 pm
by Conor Hogan
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:
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$ ./configure --with-iotk=/home/espresso-4.0.5/iotk --with-p2y=4.0.5 FC=ifort CC=icc
I see you use --with-p2y=4.0.5. However, this is not an option supported by configure:
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./configure --help :
[...]
--with-p2y=<mode> Interface mode in PW 2 YAMBO : <export> <3.1>
<3.1.1> <3.2> <4.0>
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
qexml error when porting from PW
Posted: Thu Nov 05, 2009 7:27 am
by Fariba Nazari
ifort 11
Re: qexml error when porting from PW
Posted: Thu Nov 05, 2009 9:21 am
by andrea marini
Fariba Nazari wrote:ifort 11
Dear Fariba, you had already told us that you're using ifort 11, right
Instead, did you try using --p2y=4.0 as conor suggested you ? And, please,
include your complete affiliation in your signature
Cheers
Re: qexml error when porting from PW
Posted: Sat Nov 07, 2009 3:12 pm
by Fariba Nazari
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
Re: qexml error when porting from PW
Posted: Sat Nov 07, 2009 4:13 pm
by Conor Hogan
Dear Fariba,
Once again we ask you to please add your
full affiliation to your signature...
Can you be more specific:
Did you try:
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A: configure --with-pw=4.0 --with-iotk=....espresso-3.2.3/iotk
or
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B: configure --with-pw=3.2 --with-iotk=....espresso-3.2.3/iotk
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:
Code: Select all
C: configure --with-pw=4.0 --with-iotk=....espresso-4.0.5/iotk
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