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EPW Compilation Error 
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Joined: Fri Oct 13, 2017 11:19 am
Posts: 3
University: Amity University
Post EPW Compilation Error
Dear EPW Developers,

I have installed qe-6.1 (make all) using gcc compilers successfully. Both pw.x and ph.x are working fine. Now I am trying to install EPW (make epw), it completes some initial steps and then shows the following error:

.......
make[1]: Entering directory '/home/manoj/Documents/qe-6.1/clib'
cc -O3 -D__FFTW -D__MPI -I/home/manoj/Documents/qe-6.1//include -I../include/ -c metadyn.c
metadyn.c:1120:1: error: expected identifier or ‘(’ before ‘{’ token
{
^
../make.inc:24: recipe for target 'metadyn.o' failed
make[1]: *** [metadyn.o] Error 1
make[1]: Leaving directory '/home/manoj/Documents/qe-6.1/clib'
Makefile:174: recipe for target 'libs' failed
make: *** [libs] Error 1

I don't understand the reason of this error. Kindly help me to fix this problem and install the epw package.

Sincerely,
Manoj Kumar Sharma
Amity University Noida, India


Fri Oct 13, 2017 11:35 am
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 566
University: Oxford
Post Re: EPW Compilation Error
Dear Manoj Kumar Sharma,

This is not an EPW error. You have a problem compiling clib.

Could you do the following:

make distclean
./configure
make pwall
make epw

If you have a problem, you should see it at the "make pwall" level.

Best,
Samuel

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK


Mon Oct 16, 2017 9:49 am
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Joined: Fri Oct 13, 2017 11:19 am
Posts: 3
University: Amity University
Post Re: EPW Compilation Error
Dear Sir,

As per your your advice, I could compile the epw executable successfully. After that I tried to run t01 test. I could run up to “epw1.in” successfully. But in the next step for “epw3.in” I am getting the following error:
“Error: kmaps has to be true for a restart run.”
Then I searched previous posts related to this, I could find one but no conclusive answer is given. Then I checked “epw_redin.f90” file and there I could find the line
“IF ( epwread .AND. .not. kmaps .AND. .not. epbread) CALL errore('epw_init',&
&'Error: kmaps has to be true for a restart run. ',1)”

Now, if I include “kmaps=.true.” in the epw3.in file, it could run successfully. At this point, I don’t know if I am doing something wrong. Is it related to some bug or some technical error. Kindly help me to resolve the problem.

Sincerely,
Manoj Kumar Sharma
Amity University Noida, India


Tue Oct 17, 2017 10:01 am
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 566
University: Oxford
Post Re: EPW Compilation Error
Dear Manoj,

Happy to hear that you could install EPW successfully.

Its correct that you need kmaps = true when you want to do a restart. If you want to run tests, you need to go to QE_DIRECTORY/test-suite/
and inside just run
make run-tests-epw-parallel

Best,
Samuel

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK


Tue Oct 17, 2017 12:43 pm
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Joined: Fri Oct 13, 2017 11:19 am
Posts: 3
University: Amity University
Post Re: EPW Compilation Error
Dear Sir,

Thank you for your reply.

I could test-run epw with two minor failures.
(i) epw_soc - epw.in (arg(s): 3): **FAILED**. ===> Test: -739.704194. Benchmark: -739.670037; Test: -735.871125. Benchmark: -735.901575.
(ii) epw_trev - epw.in (arg(s): 3): **FAILED**. ===> ERROR: relative error inf greater than 5.00e+03. (Test: 9e-06. Benchmark: 0.0.)

I don't know why these two tests are giving such error. Do I need to compile and test run again? Are these results acceptable and I can start using the code.

Sincerely,
Manoj Kumar Sharma
Amity University Noida, India


Wed Oct 18, 2017 4:18 am
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 566
University: Oxford
Post Re: EPW Compilation Error
Hello,

This seems quite acceptable to me.

Best,
Samuel

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK


Fri Oct 20, 2017 12:54 pm
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