But when I create the input file I see the serial build information in the generated input file, is there any problem in my [make-yambo-4.4.0.sh] file?
Compiling Yambo-4.4.0
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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Compiling Yambo-4.4.0
I have used the following options [make-yambo-4.4.0.sh] to compile the recent released Yambo-4.4.0 version.
![Image]()
But when I create the input file I see the serial build information in the generated input file, is there any problem in my [make-yambo-4.4.0.sh] file?
![Image]()
But when I create the input file I see the serial build information in the generated input file, is there any problem in my [make-yambo-4.4.0.sh] file?
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Dr. Longjun Xiang
School of Physical Science and Technology, ShanghaiTech University, China
School of Physical Science and Technology, ShanghaiTech University, China
- Daniele Varsano
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Re: Compiling Yambo-4.4.0
Dear Longjun,
you can try to set the parallel compilers directly to the FC/CC/F// variables:
FC=mpiifort
CC=mpiicc
F77=mpiifort
if it does not work can you post the config.log file, config/setup and config/report files?
Best,
Daniele
you can try to set the parallel compilers directly to the FC/CC/F// variables:
FC=mpiifort
CC=mpiicc
F77=mpiifort
if it does not work can you post the config.log file, config/setup and config/report files?
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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- Posts: 34
- Joined: Tue May 07, 2019 9:53 am
Re: Compiling Yambo-4.4.0
The problem still exist. All files have been attached.
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Dr. Longjun Xiang
School of Physical Science and Technology, ShanghaiTech University, China
School of Physical Science and Technology, ShanghaiTech University, China
- Daniele Varsano
- Posts: 4209
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Compiling Yambo-4.4.0
Dear Longjun,
you should move the commented line in your script at the end. In the way you modified it, the configure run without any option:
see at the beginning of config.log
and only serial gfortran compilers were found, see at the end of the report:
Try to run simply,
and see if the MPI compilers are recognized, you should find at the end of the configure, or in the ./config/report
The MPI checkbox coressed.
Best,
Daniele
you should move the commented line in your script at the end. In the way you modified it, the configure run without any option:
see at the beginning of config.log
Code: Select all
$ ./configure
Code: Select all
# - COMPILERS -
#
# FC kind = gfortran GNU Fortran (GCC) 4.8.5 20150623 (Red Hat 4.8.5-4)
# MPI kind=
# [ CPP ] gcc -E -P -D_FFTW -D_TIMING
# [ FPP ] gfortran -E -P -cpp -D_FFTW -D_TIMING
# [ CC ] gcc -O2 -D_C_US -D_FORTRAN_US
# [ FC ] gfortran -O3 -g -mtune=native
# [ FCUF] -O0 -g -mtune=native
# [ F77 ] gfortran -O3 -g -mtune=native
# [ F77U] -O0 -g -mtune=native
# [Cmain]
#
Code: Select all
./configure FC=mpiifort CC=mpiicc F77=mpiifort
Code: Select all
# - PARALLEL SUPPORT -
#
# [-] MPI
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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- Posts: 34
- Joined: Tue May 07, 2019 9:53 am
Re: Compiling Yambo-4.4.0
Thanks. The problem is solved.
Dr. Longjun Xiang
School of Physical Science and Technology, ShanghaiTech University, China
School of Physical Science and Technology, ShanghaiTech University, China