Install Intel 2018 compiler, stop building with 2017

[heatherkellyucl]

As well as #167 numerical issues, today's Tier2 call confirmed multiple sites having problems with the Intel 2017 compiler and MPI. (CASTEP problems and bugs in MPI collective I/O write function, Fortran unable to write file errors).

These are supposed to be fixed with 2018, and seemed to have fixed the file writing errors. Sites intending to move to 2018 as the default compiler.

Suggest we install 2018 asap and stop building things with 2017.

[balston]

I'm downloading the latest 2018 Update 2 bundles from the Intel Registration Centre with my UCL site login.

[balston]

I now have all the archives downloaded. I'm copying the Linux one on to the clusters.

[balston]

I've done a test install on my CentOS 6 VM to check this version licenses correctly from the UCL LM and it does.

[balston]

Install archive:

parallel_studio_xe_2018_update2_cluster_edition.tgz

now in:

/shared/ucl/apps/intel/installers

on Legion, Grace and Thomas. Will add to Myriad when we can scp files to it.

[balston]

The install archive is now also on Myriad in the same location.

[owainkenwayucl]

I guess we need a comms plan for migrating the default modules as we did for 2017 as well.

[balston]

Intel have just released update 3 so we should use this version. I'm starting to download it now ...

[balston]

parallel_studio_xe_2018_update3_cluster_edition.tgz

now in:

/shared/ucl/apps/intel/installers

on:

• [x] Grace;
• [x] Legion;
• [x] Myriad;
• [x] Thomas.

[owainkenwayucl]

OK - gonna take a pass at this.

[owainkenwayucl]

Name "PHONEHOME_SEND_USAGE_DATA" is not valid
/home/ccspapp/temporary-intel-dirs/intel-build.VyXR019Fkq/./silent_config_file.cfg has errors

Yay.

I bet there's literally no documentation for what it's changed to either.

[owainkenwayucl]

The documentation is a PDF because of course it is.

[owainkenwayucl]

Mostly dealing with Legion complexities at the moment.

[owainkenwayucl]

See here: https://github.com/UCL-RITS/rcps-buildscripts/commit/64c93f21049945359f3179ad6afcad7d70c0a26d

[owainkenwayucl]

Right, it is now installed (along with the interfaces) on all four clusters.

Now we need to see if it has the same issues as we saw in 2017.x.

[heatherkellyucl]

It does fix the NAMD case - boundary box no longer expanding past 59 Angstroms.

[owainkenwayucl]

OK, I beleive I successfully have CESM working with Intel 2018 on Myriad so I'm pushing out those changes on the other services.

[ikirker]

We told them we were going to switch at the end of July, so remind users on Monday to give warning.

[owainkenwayucl]

This is now done and we've moved so closing.