EPW Forum

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

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

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 dont 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

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

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

Hello,

This seems quite acceptable to me.

Best,
Samuel