SCS5 Migration Hints (Outdated)¶
This page is outdated!
Bull's new cluster software is called SCS 5 (Super Computing Suite). Here are the major changes from the user's perspective:
|Red Hat Enterprise Linux (RHEL)||6.x||7.x|
Due to the new operating system, the host keys of the login nodes have also changed. If you have
logged into tauruslogin6 before and still have the old one saved in your
known_hosts file, just
remove it and accept the new one after comparing its fingerprint with those listed under
Using Software Modules¶
As usual, you can get a list of the available software modules via:
module available # or short: ml av
There is a special module that is always loaded (sticky) called modenv. It determines the module environment you can see.
||Software for data analytics (partition ml)|
||Manually built pre-SCS5 (AE4.0) software||hidden|
The old modules (pre-SCS5) are still available after loading the corresponding modenv version (classic), however, due to changes in the libraries of the operating system, it is not guaranteed that they still work under SCS5. That's why those modenv versions are hidden.
marie@compute$ ml modenv/classic ansys/19.0 The following have been reloaded with a version change: 1) modenv/scs5 => modenv/classic Module ansys/19.0 loaded.
modenv/scs5 will be loaded by default and contains all the software that was built especially for SCS5.
Which modules should I use?¶
If possible, please use the modules from modenv/scs5. In case there is a certain software missing, you can write an email to hpcsupport and we will try to install the latest version of this particular software for you.
However, if you still need older versions of some software, you have to resort to using the modules in the old module environment (modenv/classic most probably). We won't keep those around forever though, so in the long-term, it is advisable to migrate your workflow to up-to-date versions of the software used.
Compilers, MPI-Libraries and Toolchains¶
Since we are mainly using EasyBuild to install software now, we are following their toolchain schemes.
We mostly install software using the "intel" toolchain, because in most cases, the resulting code performs best on our Intel-based architectures. There are alternatives like GCC (foss), PGI or Clang/LLVM though.
Generally speaking, the toolchains in this new environment are separated into more parts (modules) than you will be used to, coming from modenv/classic. A full toolchain, like "intel", "foss" or "iomkl" consists of several sub-modules making up the layers of
- MPI library
- math library (providing BLAS/LAPACK/FFT routines etc.)
For instance, the "intel" toolchain has the following structure:
On the other hand, the "foss" toolchain looks like this:
|Compilers||GCC (gcc, gfortran)|
|Math. libraries||OpenBLAS, FFTW|
If you want to combine the Intel compilers and MKL with OpenMPI, you'd have to use the "iomkl" toolchain:
There are also subtoolchains that skip a layer or two, e.g. "iccifort" only consists of the respective compilers, same as "GCC". Then there is "iompi" that includes Intel compilers+OpenMPI but no math library, etc.
What is this "GCCcore" I keep seeing and how does it relate to "GCC"?¶
GCCcore includes only the compilers/standard libraries of the GNU compiler collection but without "binutils". It is used as a dependency for many modules without getting in the way, e.g. the Intel compilers also rely on libstdc++ from GCC, but you don't want to load two compiler modules at the same time, so "intel" also depends on "GCCcore". You can think of it as more of a runtime dependency rather than a full-fledged compiler toolchain. If you want to compile your own code with the GNU compilers, you have to load the module: "GCC" instead, "GCCcore" won't be enough.
There are ongoing discussions in the EasyBuild community to maybe change this in the future in order to avoid the potential confusion this GCCcore module brings with it.
I have been using "bullxmpi" so far, where can I find it?¶
bullxmpi was more or less a rebranded OpenMPI 1.6 with some additions from Bull. It is not supported anymore and Bull has abandoned it in favor of a standard OpenMPI 2.0.2 build as their default in SCS5. You should migrate your code to our OpenMPI module or maybe even try Intel MPI instead.
Where have the analysis tools from Intel Parallel Studio XE gone?¶
Since "intel" is only a toolchain module now, it does not include the entire Parallel Studio anymore. Tools like the Intel Advisor, Inspector, Trace Analyzer or VTune Amplifier are available as separate modules now:
|Intel Trace Analyzer||itac|
|Intel VTune Amplifier||VTune|