No speedup using Intel MKL libraries?
Faraz H
fa... at squashclub.org
Wed Nov 1 18:26:03 UTC 2017
I built cp2k 4.1 using the toolchain script using default gcc 4.9. I then
built another executable with the toolchain with gcc 4.9 and the MKL
libraries ( Parallel Studio 2016 ). I do not see any speed difference
between the two executable .
I am running the H20-128.inp file. It takes around 7 minutes on a machine
with 28 cpus ( Intel(R) Xeon(R) CPU E5-2680 v4 @ 2.40GHz ) . Is this
normal or should I be seeing some measurable speed improvement? Here is the
output of ldd on the two executables:
gcc4.9 only:
[user at compute99 benchmark]$ ldd
/Apps/users/cp2k-4.1_gcc49/cp2k-4.1/exe/cp2k.ssmp
linux-vdso.so.1 => (0x00007fffcddb0000)
libopenblas_omp.so.0 =>
/Apps/users/hussaif1/cp2k-4.1_gcc49/cp2k-4.1/tools/toolchain/install/openblas-0.2.18/lib/libopenblas_omp.so.0
(0x00002b51f394e000)
libstdc++.so.6 => /usr/lib64/libstdc++.so.6 (0x000000343a800000)
libgfortran.so.3 => /usr/lib64/libgfortran.so.3 (0x00000032ee400000)
libm.so.6 => /lib64/libm.so.6 (0x0000003656a00000)
libgomp.so.1 => /usr/lib64/libgomp.so.1 (0x00000032ed800000)
libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x000000343a400000)
libpthread.so.0 => /lib64/libpthread.so.0 (0x0000003656200000)
libc.so.6 => /lib64/libc.so.6 (0x0000003655e00000)
/lib64/ld-linux-x86-64.so.2 (0x0000003655600000)
librt.so.1 => /lib64/librt.so.1 (0x0000003656600000)
gcc 4.9 with Intel MKL libraries ( statically linked ):
[user at compute99 benchmark]$ ldd /Apps/users/cp2k-4.1/exe/cp2k.ssmp
linux-vdso.so.1 => (0x00007fff261ff000)
libpthread.so.0 => /lib64/libpthread.so.0 (0x0000003656200000)
libgfortran.so.3 => /usr/lib64/libgfortran.so.3 (0x00000032ee400000)
libdl.so.2 => /lib64/libdl.so.2 (0x0000003655a00000)
libm.so.6 => /lib64/libm.so.6 (0x0000003656a00000)
libstdc++.so.6 => /usr/lib64/libstdc++.so.6 (0x000000343a800000)
libgomp.so.1 => /usr/lib64/libgomp.so.1 (0x00000032ed800000)
libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x000000343a400000)
libc.so.6 => /lib64/libc.so.6 (0x0000003655e00000)
/lib64/ld-linux-x86-64.so.2 (0x0000003655600000)
librt.so.1 => /lib64/librt.so.1 (0x0000003656600000)
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