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ZIH
hpcsupport
hpc-compendium
Commits
35fce918
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35fce918
authored
3 years ago
by
Martin Schroschk
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SCS5Software: Fix checks
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SCS5Software: Fix checks
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...
@@ -13,23 +13,24 @@ Here are the major changes from the user's perspective:
...
@@ -13,23 +13,24 @@ Here are the major changes from the user's perspective:
## Host Keys
## Host Keys
Due to the new operating system, the host keys of the login nodes have
Due to the new operating system, the host keys of the login nodes have also changed. If you have
also changed. If you have logged into tauruslogin6 before and still have
logged into tauruslogin6 before and still have the old one saved in your
`known_hosts`
file, just
the old one saved in your
`known_hosts`
file, just remove it and accept
remove it and accept the new one after comparing its fingerprint with those listed under
the new one after comparing its fingerprint with those listed under
[
Login
](
../access/Login.md#ssh-access
)
.
[
Login
](
Login#tableLogin2
)
.
## Using
s
oftware
m
odules
## Using
S
oftware
M
odules
Starting with SCS5, we only provide
Starting with SCS5, we only provide
[
Lmod
](
RuntimeEnvironment
#Lmod:_An_A
lternative
_M
odule
_I
mplementation
)
as
[
Lmod
](
../data_management/
RuntimeEnvironment
.md#lmod-an-a
lternative
-m
odule
-i
mplementation
)
as
the
the
environment module tool of choice.
environment module tool of choice.
As usual, you can get a list of the available software modules via:
As usual, you can get a list of the available software modules via:
module available
```
Bash
# or short:
module available
ml av
# or short:
ml av
```
There is a special module that is always loaded (sticky) called
There is a special module that is always loaded (sticky) called
**modenv**
. It determines the module environment you can see.
**modenv**
. It determines the module environment you can see.
...
@@ -47,48 +48,45 @@ still work under SCS5. That's why those modenv versions are hidden.
...
@@ -47,48 +48,45 @@ still work under SCS5. That's why those modenv versions are hidden.
Example:
Example:
$ ml modenv/classic ansys/19.0
```
Bash
$ ml modenv/classic ansys/19.0
The following have been reloaded with a version change:
The following have been reloaded with a version change:
1) modenv/scs5 => modenv/classic
1) modenv/scs5 => modenv/classic
Module ansys/19.0 loaded.
Module ansys/19.0 loaded.
```
**modenv/scs5**
will be loaded by default and contains all the software
**modenv/scs5**
will be loaded by default and contains all the software
that was built especially for SCS5.
that was built especially for SCS5.
### Which modules should I use?
### Which modules should I use?
If possible, please use the modules from
**modenv/scs5**
. In case there
If possible, please use the modules from
**modenv/scs5**
. In case there is a certain software
is a certain software missing, you can write an email to
missing, you can write an
[
email to hpcsupport
](
mailto:hpcsupport@zih.tu-dresden.de
)
and we will try
<hpcsupport@zih.tu-dresden.de>
and we will try to install the latest
to install the latest version of this particular software for you.
version of this particular software for you.
However, if you still need
*older*
versions of some software, you have
However, if you still need
*older*
versions of some software, you have to resort to using the
to resort to using the modules in the old module environment
modules in the old module environment (
**modenv/classic**
most probably). We won't keep those around
(
**modenv/classic**
most probably). We won't keep those around forever
forever though, so in the long-term, it is advisable to migrate your workflow to up-to-date versions
though, so in the long-term, it is advisable to migrate your workflow to
of the software used.
up-to-date versions of the software used.
### Compilers, MPI-Libraries and Toolchains
### Compilers, MPI-Libraries and Toolchains
Since we are mainly using EasyBuild to install software now, we are
Since we are mainly using EasyBuild to install software now, we are following their
following their toolchain schemes:
[
toolchain schemes
](
http://easybuild.readthedocs.io/en/latest/Common-toolchains.html
)
.
<http://easybuild.readthedocs.io/en/latest/Common-toolchains.html>
We mostly install software using the "intel" toolchain, because in most
We mostly install software using the "intel" toolchain, because in most cases, the resulting code
cases, the resulting code performs best on our Intel-based
performs best on our Intel-based architectures. There are alternatives like GCC (foss), PGI or
architectures. There are alternatives like GCC (foss), PGI or Clang/LLVM
Clang/LLVM though.
though.
Generally speaking, the toolchains in this new environment are separated
Generally speaking, the toolchains in this new environment are separated into more parts (modules)
into more parts (modules) than you will be used to, coming from
than you will be used to, coming from modenv/classic. A full toolchain, like "intel", "foss" or
modenv/classic. A full toolchain, like "intel", "foss" or "iomkl"
"iomkl" consists of several sub-modules making up the layers of
consists of several sub-modules making up the layers of
-
compilers
-
compilers
-
MPI library
-
MPI library
-
math library (providing BLAS/LAPACK/FFT routines etc.)
-
math library (providing BLAS/LAPACK/FFT routines etc.)
For instance, the "intel" toolchain has the following structure:
For instance, the "intel" toolchain has the following structure:
...
@@ -108,8 +106,8 @@ On the other hand, the "foss" toolchain looks like this:
...
@@ -108,8 +106,8 @@ On the other hand, the "foss" toolchain looks like this:
| mpi library | OpenMPI |
| mpi library | OpenMPI |
| math libraries | OpenBLAS, FFTW |
| math libraries | OpenBLAS, FFTW |
If you want to combine the Intel compilers and MKL with OpenMPI, you'd
If you want to combine the Intel compilers and MKL with OpenMPI, you'd
have to use the "iomkl"
have to use the "iomkl"
toolchain:
toolchain:
| | |
| | |
|--------------|------------|
|--------------|------------|
...
@@ -118,40 +116,34 @@ have to use the "iomkl" toolchain:
...
@@ -118,40 +116,34 @@ have to use the "iomkl" toolchain:
| mpi library | OpenMPI |
| mpi library | OpenMPI |
| math library | imkl |
| math library | imkl |
There are also subtoolchains that skip a layer or two, e.g. "iccifort"
There are also subtoolchains that skip a layer or two, e.g. "iccifort"
only consists of the
only consists of the
respective compilers, same as "GCC". Then there is
respective compilers, same as "GCC". Then there is
"iompi" that includes Intel compilers+OpenMPI but
"iompi" that includes Intel compilers+OpenMPI but
no math library, etc.
no math library, etc.
#### What is this "GCCcore" I keep seeing and how does it relate to "GCC"?
#### What is this "GCCcore" I keep seeing and how does it relate to "GCC"?
GCCcore includes only the compilers/standard libraries of the GNU
GCCcore includes only the compilers/standard libraries of the GNU compiler collection but without
compiler collection but without "binutils". It is used as a dependency
"binutils". It is used as a dependency for many modules without getting in the way, e.g. the Intel
for many modules without getting in the way, e.g. the Intel compilers
compilers also rely on libstdc++ from GCC, but you don't want to load two compiler modules at the
also rely on libstdc++ from GCC, but you don't want to load two compiler
same time, so "intel" also depends on "GCCcore". You can think of it as more of a runtime dependency
modules at the same time, so "intel" also depends on "GCCcore". You can
rather than a full-fledged compiler toolchain. If you want to compile your own code with the GNU
think of it as more of a runtime dependency rather than a full-fledged
compilers, you have to load the module: "
**GCC"**
instead, "GCCcore" won't be enough.
compiler toolchain. If you want to compile your own code with the GNU
compilers, you have to load the module: "
**GCC"**
instead, "GCCcore"
There are
[
ongoing discussions
](
https://github.com/easybuilders/easybuild-easyconfigs/issues/6366
)
won't be enough.
in the EasyBuild community to maybe change this in the future in order to avoid the potential
confusion this GCCcore module brings with it.
There are
[
ongoing
discussions
](
https://github.com/easybuilders/easybuild-easyconfigs/issues/6366
)
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?
#### 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
bullxmpi was more or less a rebranded OpenMPI 1.6 with some additions from Bull. It is not supported
from Bull. It is not supported anymore and Bull has abandoned it in
anymore and Bull has abandoned it in favor of a standard OpenMPI 2.0.2 build as their default in
favor of a standard OpenMPI 2.0.2 build as their default in SCS5. You
SCS5. You should migrate your code to our OpenMPI module or maybe even try Intel MPI instead.
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?
#### Where have the analysis tools from Intel Parallel Studio XE gone?
Since "intel" is only a toolchain module now, it does not include the
Since "intel" is only a toolchain module now, it does not include the
entire Parallel Studio
entire Parallel Studio
anymore. Tools like the Intel Advisor, Inspector,
anymore. Tools like the Intel Advisor, Inspector,
Trace Analyzer or VTune Amplifier are available as
Trace Analyzer or VTune Amplifier are available as
separate modules now:
separate modules now:
| product | module |
| product | module |
|:----------------------|:----------|
|:----------------------|:----------|
...
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