install parallel version of yambo-4.1.2

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message
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ljzhou86
Posts: 85
Joined: Fri May 03, 2013 10:20 am

install parallel version of yambo-4.1.2

Post by 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
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Daniele Varsano
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Re: install parallel version of yambo-4.1.2

Post by 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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ljzhou86
Posts: 85
Joined: Fri May 03, 2013 10:20 am

Re: install parallel version of yambo-4.1.2

Post by 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
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Daniele Varsano
Posts: 3816
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Re: install parallel version of yambo-4.1.2

Post by 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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