ELPA speed-up with Intel-compiled code
Jerry Tanoury
jerryt... at gmail.com
Wed May 2 18:57:12 UTC 2018
Dear forum,
I am running CP2K version 5.1 compiled with Intel 2017 update 5 compilers
and corresponding MKL libs. The arch file is attached. Everything runs as
expected. I then build ELPA-2016.05.004 as shown below and built an
ELPA-enable cp2k version according to the attached arch file:
../configure
--prefix=/cluster/home/tanoury/CP2K/intelbuilt_packages/2017u5/elpa-2016.05.004
FC=mpiifort FCFLAGS=-O2 -xHost CC=mpiicc CFLAGS=-O2 -xHost
--enable-option-checking=fatal --enable-static=yes --enable-avx2=no
--enable-avx=no
SCALAPACK_LDFLAGS=-L/cluster/home/tanoury/intel/2017u5/compilers_and_libraries_2017.5.239/linux/mkl/lib/intel64
-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
-lmkl_blacs_intelmpi_lp64 -lpthread
-Wl,-rpath,/cluster/home/tanoury/intel/2017u5/compilers_and_libraries_2017.5.239/linux/mkl/lib/intel64
SCALAPACK_FCFLAGS=-L/cluster/home/tanoury/intel/2017u5/compilers_and_libraries_2017.5.239/linux/mkl/lib/intel64
-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
-lmkl_blacs_intelmpi_lp64 -lpthread
-I/cluster/home/tanoury/intel/2017u5/compilers_and_libraries_2017.5.239/linux/mkl/include/intel64/lp64
When doing a speed test on 80 cores, I saw no speed-up from ELPA. Is this
unexpected? Did I build ELPA correctly? Perhaps I need to run on 100's of
cores.
Thank you for the help,
Jerry
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180502/70a4c879/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: CP2K_allintel-dodeca.popt
Type: application/octet-stream
Size: 2324 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180502/70a4c879/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: CP2K_allintel-dodeca-elpa.popt
Type: application/octet-stream
Size: 2440 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180502/70a4c879/attachment-0001.obj>
More information about the CP2K-user
mailing list