[Wien] 'ifort' and 'mkl libraries

[Gavin Abo]

The SSD is probably faster than the HDD for read/writing, but it may 
vary with hardware.  Also, the data write time can be slower than the 
read time for the SSD. [ 
https://www.kompulsa.com/whats-difference-ssd-hard-drive/ ].  So I would 
probably run a test calculation on both and compare the walltimes.

For reading data, the SSD should be better, so I would put the OS and 
WIEN2k installation on the SSD.  For writing of data, if calculation 
time is your concern, then it may be better to put to put the WIEN2k 
calculation data on the SSD (path set during userconfig_lapw).  If drive 
lifetime is a concern, because frequent scf cycle writing will reduce 
the drives lifetime [ 
https://blog.westerndigital.com/ssd-endurance-speeds-feeds-needs/ ], 
then put it on the HDD.  After the calculation finishes running on the 
SDD, you could also just copy the data to the HDD for storage.

Regarding the "No compatible python found", that might be for BerryPI.  
I think it uses python 2.7. So, if you don't use BerryPI, then it should 
not be important for WIEN2k installation.

BoltzTraP2 needs python 3.5 or higher [ 
https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/ 
].  With Ubuntu 16.04 LTS and later, I think those can both be installed 
with something like [ 
https://askubuntu.com/questions/981118/correct-way-to-install-python-2-7-on-ubuntu-17-10/981279 
]:

sudo apt-get install python

sudo apt-get install python3

For "32-bit libraries not found", I don't remember what the packages 
needed are, but those likely can be installed with apt-get as well.

On 5/14/2018 5:48 AM, Victor Zenou wrote:
> Hi
> 2. For some reason I didn't look up at 'System Requirements' for 
> Parallel studio xe 2018.  It is only supported for Ubuntu 
> versions 14.04, 16.04, 17.04
> I will try Ubuntu 17.04. (probably its better to avoid 
> installation at late night :))
> Another option is probably use gfortran, which is far as I understand 
> is less better than ifort.
>
> 1. I guess that since a lot of writing to disk, SSD would be better 
> for OS, Wien2k and Wien2k data.
>
> Thanks, Victor
>
>
>
> 2018-05-14 13:17 GMT+03:00 Laurence Marks <L-marks at northwestern.edu 
> <mailto:L-marks at northwestern.edu>>:
>
>     I suggest that you do some simple "Hello World" test ifort/icc
>     compilations to check it ifort did really install or not. I know
>     the latest version would not install on my cluster (or work)
>     because the OS was too old.
>
>     _____
>     Professor Laurence Marks
>     "Research is to see what everybody else has seen, and to think
>     what nobody else has thought", Albert Szent-Gyorgi
>     www.numis.northwestern.edu <http://www.numis.northwestern.edu>
>
>     On Mon, May 14, 2018, 1:18 AM Victor Zenou <zanov at post.bgu.ac.il
>     <mailto:zanov at post.bgu.ac.il>> wrote:
>
>         I decided to upgrade to Wien2k_17.1 , as was suggested*.*
>
>         I installed the last version of Ubuntu, 18.04, (supposed to be
>         64 bit) on PC with intel Xeon processor. I have 2 drives: 256
>         GB SSD and 500 SATA HDD.
>
>         First question: Its known that SSD is much faster than SATA or
>         any HDD, and usually operating systems are installed on SSD.
>         Is it important to install wien2k on SSD, as I definitely want
>         my wien2k data to be on the bigger drive (500 GB)?
>
>         Second question: In order to use 'ifort' and 'mkl libraries' I
>         tried to install Parallel studio xe 2018, but got some errors
>         regarding to "Missing optional prerequisites":
>         -- Unsupported OS
>         -- Intel(R) Trace Analyzer and Collector 2018 for Linux* OS:
>         Unsupported OS
>         -- Intel(R) Cluster Checker 2018 Update 3 for Linux* OS:
>         Unsupported OS
>         -- Intel(R) VTune(TM) Amplifier XE 2018 update 2: Unsupported OS
>         -- Intel(R) Inspector 2018: Unsupported OS
>         -- Intel(R) Advisor 2018: Unsupported OS
>         -- Driver build options are incomplete. Drivers cannot be built.
>
>         I also got:
>
>         missing system commands
>
>         No compatible python found
>
>         32-bit libraries not found (libstdc++ (including libstdc++6),
>         glibc and libgcc). Without these libraries the compiler will
>         not function properly.
>
>         Are these "missing optional prerequisites" important to wien2k
>         installation?
>
>         Thanks,Victor
>
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