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error whilst compiling EPW-4 
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Joined: Thu May 05, 2016 5:18 pm
Posts: 64
University: Rondonia university
Post error whilst compiling EPW-4
I am trying to compile EPW-4. Everything runs smoothly and I was very close to to correctly compile both QE-5.4.0 and EPW-4 until the code stops:

IF (iverbosity.eq.1) write (stdout, *) &
1
Error: Expected expression in WRITE statement at (1)
make[1]: *** [setphases.o] Error 1
make[1]: Leaving directory `/home/eamoujaes/espresso-5.4.0/EPW/src'
make: *** [epw] Error 2

How can this be corrected?

thank you

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Physics Department
university of Rondonia Brazil
Porto Velho- Rondonia


Mon May 23, 2016 3:59 am
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 573
University: Oxford
Post Re: error whilst compiling EPW-4
Dear eliephys78,

This is quite interesting. I never had this bug before.
Could you tell me which compiler you are using (exact version) ?
In the meantime I suppose the bug for that compiler could be corrected with:

open the "setphases.f90" and remove line 188

From:
Code:
  IF (iverbosity.eq.1) write (stdout, *) &
!$$  if (.true.) write (stdout, *) &
     ik0, nset, (ndeg (iset) ,iset=1,nset)


to:
Code:
  IF (iverbosity.eq.1) write (stdout, *) &
     ik0, nset, (ndeg (iset) ,iset=1,nset)


Could you tell me if that works?

Thank you,

Best,

Samuel

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


Wed May 25, 2016 10:36 am
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Joined: Thu May 05, 2016 5:18 pm
Posts: 64
University: Rondonia university
Post Re: error whilst compiling EPW-4
Line 188 is the one above the "!" but this cannot be taken out. The line starting with "!" is line 189 and this is already "commented":

188 IF (iverbosity.eq.1) write (stdout, *) &
189 !$$ if (.true.) write (stdout, *) &
190 ik0, nset, (ndeg (iset) ,iset=1,nset)

so which line do I have to remove? My compiler version is:

gcc version 4.4.7 20120313 (Red Hat 4.4.7-3) (GCC)

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Physics Department
university of Rondonia Brazil
Porto Velho- Rondonia


Wed May 25, 2016 2:28 pm
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Joined: Thu May 05, 2016 5:18 pm
Posts: 64
University: Rondonia university
Post Re: error whilst compiling EPW-4
Dear sponce,

thanks for your help. It actually worked.

Regards

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Physics Department
university of Rondonia Brazil
Porto Velho- Rondonia


Wed May 25, 2016 2:39 pm
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 573
University: Oxford
Post Re: error whilst compiling EPW-4
Dear eliephys78,

Thank you for the information. I've modify the code in the trunk of QE.

I would recommend to update, if possible, your compiler to more recent version (like gcc 4.9.3 or so).

Best,

Samuel

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


Wed May 25, 2016 3:12 pm
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Joined: Tue Jun 14, 2016 1:02 pm
Posts: 3
Post Re: error whilst compiling EPW-4
Dear Developers,
I followed the video in your youtube for installing EPW and everything went well except the last step "make epw" it always gives me the following message

make[5]: Leaving directory `/home/khaled/Espresso_5.4/espresso-5.4.0/install'
cd install ; make -f extlibs_makefile libblas
make[5]: Entering directory `/home/khaled/Espresso_5.4/espresso-5.4.0/install'
touch fake_libblas.a
rm fake_libblas.a
make[5]: Leaving directory `/home/khaled/Espresso_5.4/espresso-5.4.0/install'
if test -d upftools ; then \
( cd upftools ; make TLDEPS= all || exit 1 ) ; fi
make[5]: Entering directory `/home/khaled/Espresso_5.4/espresso-5.4.0/upftools'
if test -n "" ; then \
( cd ../ ; make || exit 1 ) ; fi
make[5]: Leaving directory `/home/khaled/Espresso_5.4/espresso-5.4.0/upftools'
make[4]: Leaving directory `/home/khaled/Espresso_5.4/espresso-5.4.0'
mpif90 -g -pthread -o epw.x \
epw.o libepw.a ../../PHonon/PH/libph.a ../../LR_Modules/liblrmod.a ../../wannier90-2.0.1/libwannier.a ../../PW/src/libpw.a ../../Modules/libqemod.a ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a ../../clib/clib.a ../../iotk/src/libiotk.a -llapack -lblas -lfftw3 -lblas
( cd ../bin ; ln -fs ../src/epw.x . )
make[3]: Leaving directory `/home/khaled/Espresso_5.4/espresso-5.4.0/EPW/src'
(cd bin ; ln -fs ../src/epw.x . )
make[2]: Leaving directory `/home/khaled/Espresso_5.4/espresso-5.4.0/EPW'
(cd ../bin; ln -fs ../EPW/src/epw.x .)
touch ./make-epw
make[1]: Leaving directory `/home/khaled/Espresso_5.4/espresso-5.4.0/install'

I found the executable file in ../espresso-5.4.0/bin/ but when I tried to run epw by using the command "./epw.x" , gives

Fatal error in PMPI_Comm_rank: Invalid communicator, error stack:
PMPI_Comm_rank(108): MPI_Comm_rank(comm=0x0, rank=0xf00568) failed
PMPI_Comm_rank(66).: Invalid communicator

Note, I am using gcc 4.8.4 in my machine. I am waiting for your a valuable suggestions. Thank you in advance.

Best regards,
Khaled.


Wed Jun 15, 2016 11:36 pm
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 573
University: Oxford
Post Re: error whilst compiling EPW-4
Dear Khaled,

Which mpi implementation are you using?

Could you try the following inside /home/khaled/Espresso_5.4/espresso-5.4.0:
Code:
make distclean
./configure
make pwall
make ph
cd EPW/src
make


Best,

Samuel

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


Thu Jun 16, 2016 5:06 pm
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