Shaheen III#

Users can benefit from many software packages and scientific libraries available as modules. Users can also compile their source code using various compiler toolchains in the Cray Programming Environment.

Environment Modules#

Before requesting the installation of new packages or libraries, please check if the desired package is already installed on the system.

To find the list of all the packages installed:

module avail

To find a specific package:

module avail -S name

To get information on the package usage:

module help <package-name>
module show <package-name>

To display Cray Scientific Libraries:

module avail –L

To load a module:

module load <package-name>

Compiler Toolchains#

Cray, AMD, and GCC compiler toolchains are provided through modules. The module PrgEnv-<compiler> is used to activate the respective toolchain. Regardless of the underlying compiler, the user must use the compiler wrappers cc, CC, and ftn depending on the programming language as seen in the table below:

**Programming environment on Shaheen III**#
Vendor	Programming environment	Module	Language	Compiler wrapper	Compiler
Cray	`PrgEnv-cray`	`cce`	`C`	`cc`	`craycc`
			`C++`	`CC`	`crayCC`
			`Fortran`	`ftn`	`crayftn`
GNU	`PrgEnv-gnu`	`gcc`	`C`	`cc`	`gcc`
			`C++`	`CC`	`g++`
			`Fortran`	`ftn`	`gfortran`
AMD	`PrgEnv-aocc`	`aocc`	`C`	`cc`	`amdclang`
			`C++`	`CC`	`amdclang++`
			`Fortran`	`ftn`	`amdflang`
Intel	`PrgEnv-intel`	`intel`	`C`	`cc`	`icx`
			`C++`	`CC`	`icpx`
			`Fortran`	`ftn`	`ifort`

As seen above, the compiler wrappers do not change according to different compilers. However, one can directly call the underlying compiler under some circumstances.

The documentation (e.g., flags) for the underlying compiler can be obtained via the following command:

man <compiler>

The compiler specific flags can be directly passed to the compiler wrappers.

The default flags passed by the wrapper can be obtained via the following command:

cc -craype-verbose

The whole compiler invocation can be seen via the following command:

cc --cray-print-opts=all

Cray Programming Environment and Compiler Wrappers#

Cray provides PrgEnv-<compiler> modules (e.g., PrgEnv-cray) to load the compiler toolchains. The PrgEnv-cray module is loaded by default. The following command can be used to switch between compiler toolchains:

module switch PrgEnv-cray PrgEnv-gnu

The modules for different versions of the compiler can be listed and changed. The following example shows how to change the compiler for PrgEnv-cray:

$ module av cce
cce/12.0.3(default) cce/14.0.3          cce/15.0.1

$ module switch cce cce/15.0.1

MPI#

Cray MPICH is provided by default. It is also linked when the compiler wrappers cc, CC, and ftn are used.