[Wien] System configuration

[Gavin Abo]

> Also unable to install ELPA

The following might be helpful for those interested in ELPA.

ELPA seemed to compile without any problems with the Intel compilers.  
However, the "make check" tests do not pass for my AMD processor 
laptop.  My hardware resources seem to be lacking that needed for the 
mpiexec processes of the tests.  Perhaps the tests will fair better on a 
higher end Intel processor system.

The Intel Parallel Studio XE 2019 seems like it might be quite buggy up 
to the current update 4 version, for example the discussion in the Intel 
forum [ 
https://software.intel.com/en-us/forums/intel-clusters-and-hpc-technology/topic/799716 
].  So if you encounter issues with 2019, you may want to fallback on an 
older 2018 version.  It might just be due to my particular non-Intel 
hardware system, but mpiexec.hydra fails with a core dump with Intel 
Parallel Studio XE 2019 update 4 while it runs using Intel Parallel 
Studio XE 2018 update 2 for the Hello World mpi demonstration [ 
https://software.intel.com/en-us/articles/using-intelr-mpi-library-50-with-mpich3-based-applications 
].

Building ELPA

username at computername:~$ cd ~
username at computername:~$ wget 
http://elpa.mpcdf.mpg.de/html/Releases/2018.11.001/elpa-2018.11.001.tar.gz
...
username at computername:~$ tar xvf elpa-2018.11.001.tar.gz
...
username at computername:~$ cd elpa-2018.11.001/
username at computername:~/elpa-2018.11.001$ ./configure FC=mpiifort 
CC=mpiicc --prefix=$HOME/elpa-2018.11.001 FCFLAGS="-O0 -FR -mp1 -w 
-prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
-I/opt/intel/compilers_and_libraries_2019.4.243/linux/mkl/include 
-L/opt/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64 
-lpthread -ldl -liomp5" 
SCALAPACK_LDFLAGS="-L/opt/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64 
-lmkl_scalapack_lp64 
-L/opt/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64 
-lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64 -lmkl_intel_thread 
-lmkl_core" CFLAGS="-O0 -traceback"
...
username at computername:~/elpa-2018.11.001$ make
...
username at computername:~/elpa-2018.11.001$ make check
...
============================================================================
Testsuite summary for elpa 2018.11.001
============================================================================
# TOTAL: 126
# PASS:  0
# SKIP:  45
# XFAIL: 0
# FAIL:  81
# XPASS: 0
# ERROR: 0
...
username at computername:~/elpa-2018.11.001$ make install
...
username at computername:~/elpa-2018.11.001$ ls -l ~/elpa-2018.11.001/lib
total 4476
-rw-r--r-- 1 username username 2666548 May 28 02:42 libelpa.a
-rwxr-xr-x 1 username username    1125 May 28 02:42 libelpa.la
lrwxrwxrwx 1 username username      17 May 28 02:42 libelpa.so -> 
libelpa.so.13.0.0
lrwxrwxrwx 1 username username      17 May 28 02:42 libelpa.so.13 -> 
libelpa.so.13.0.0
-rwxr-xr-x 1 username username 1903968 May 28 02:42 libelpa.so.13.0.0
drwxr-xr-x 2 username username    4096 May 28 02:42 pkgconfig

Intel Parallel Studio XE 2019 update 4 Hello World mpi demo

username at computername:~/Desktop/test$ mpiicc -v
mpiicc for the Intel(R) MPI Library 2019 Update 4 for Linux*
Copyright 2003-2019, Intel Corporation.
icc version 19.0.4.243 (gcc version 7.4.0 compatibility)
username at computername:~/Desktop/test$ mpiicc ./version_info.c -o 
version_info
username at computername:~/Desktop/test$ mpiexec.hydra -n 2 ./version_info
Floating point exception (core dumped)

Intel Parallel Studio XE 2018 update 2 Hello World mpi demo

username at computername:~/Desktop/test$ mpiicc -v
mpiicc for the Intel(R) MPI Library 2018 Update 2 for Linux*
Copyright(C) 2003-2018, Intel Corporation.  All rights reserved.
icc version 18.0.2 (gcc version 7.0.0 compatibility)
username at computername:~/Desktop/test$ mpiicc ./version_info.c -o 
version_info
username at computername:~/Desktop/test$ mpiexec.hydra -n 2 ./version_info
Hello world: MPI implementation:
  Intel(R) MPI Library 2018 Update 2 for Linux* OS