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install parallel version of yambo-4.1.2

Posted: Fri Sep 08, 2017 9:15 am
by ljzhou86
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

Re: install parallel version of yambo-4.1.2

Posted: Sat Sep 09, 2017 6:13 am
by Daniele Varsano
Dear Liujiang Zhou,
in order to spot the problem, can you please attach the config.log file?
Best,
Daniele

Re: install parallel version of yambo-4.1.2

Posted: Sat Sep 09, 2017 11:51 am
by ljzhou86
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

Re: install parallel version of yambo-4.1.2

Posted: Sat Sep 09, 2017 5:21 pm
by Daniele Varsano
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