install parallel version of yambo-4.1.2

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install parallel version of yambo-4.1.2

Postby ljzhou86 » Fri Sep 08, 2017 9:15 am

Dear developers

I am using yambo-4.1.4 recently. I configured it by using modules "intel/15.0.5 fftw/3.2 mkl/11.4.1 openmpi/1.6.5" as:
./configure FC=ifort F77=ifort PFC=mpif90 CC=icc MPICC=mpiicc --enable-open-mp --enable-iotk --enable-etsf-io --enable-netcdf --enable-time-profile --with-blas-libs="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core" --with-iotk-path="/turquoise/usr/projects/cint/cint_codes/ljzhou86_softeware/wolf_qe/espresso-5.4.0/iotk" --with-lapack-libs="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core" --enable-netcdf-LFS

however, the obtained executible yambo is a version of "Serial+OpenMP Build". I used tag "--enable-parallel", but it did not work. Do you know how to get the parellel version?

Best,
Liujiang Zhou
Dr. Zhou Liu-Jiang
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
ljzhou86
 
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Re: install parallel version of yambo-4.1.2

Postby Daniele Varsano » Sat Sep 09, 2017 6:13 am

Dear Liujiang Zhou,
in order to spot the problem, can you please attach the config.log file?
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/
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Re: install parallel version of yambo-4.1.2

Postby ljzhou86 » Sat Sep 09, 2017 11:51 am

Daniele Varsano wrote:Dear Liujiang Zhou,
in order to spot the problem, can you please attach the config.log file?
Best,
Daniele


please see it in the attachment. Thanks
You do not have the required permissions to view the files attached to this post.
Dr. Zhou Liu-Jiang
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
ljzhou86
 
Posts: 72
Joined: Fri May 03, 2013 10:20 am

Re: install parallel version of yambo-4.1.2

Postby Daniele Varsano » Sat Sep 09, 2017 5:21 pm

Dear Dr. Zhou Liu-Jiang,
it looks there are problem with MPICC you specified, as it is not found, moreover also the netcdf does not look properly linked.
Can you try a simpler conifguration as:

$ ./configure FC=ifort F77=ifort --enable-open-mp --enable-time-profile --with-blas-libs="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core" --with-lapack-libs="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core"

Some of the option you assigned were obsolete.
In this way netcdf, iotk etc. will be downloaded and compiled by the configure automatically.
If you have problem, post here again including the config.log,

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/
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Daniele Varsano
 
Posts: 1950
Joined: Tue Mar 17, 2009 2:23 pm


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