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Subsections

2.9 Cray machines

For Cray XE machines:

$ module swap PrgEnv-cray PrgEnv-pgi
$ ./configure --enable-openmp --enable-parallel --with-scalapack
$ vim make.inc
then manually add -D__IOTK_WORKAROUND1 at the end of DFLAGS line.

''Now, despite what people can imagine, every CRAY machine deployed can have different environment. For example on the machine I usually use for tests [...] I do have to unload some modules to make QE running properly. On another CRAY [...] there is also Intel compiler as option and the system is slightly different compared to the other. So my recipe should work, 99% of the cases.'' (info by Filippo Spiga)

For Cray XT machines, use ./configure ARCH=crayxt4 or else configure will not recognize the Cray-specific software environment.

Older Cray machines: T3D, T3E, X1, are no longer supported.

2.9.1 Obsolescent architectures

2.9.1.1 Intel Xeon Phi

For Intel Xeon CPUs with Phi coprocessor, see this link:
https://software.intel.com/en-us/articles/explicit-offload-for-quantum-espresso.

There are three ways of compiling:

"You can take advantage of the offload mode using the libxphi library. This library offloads the BLAS/MKL functions on the Xeon Phi platform hiding the latency times due to the communication. You just need to compile this library and then to link it dynamically. The library works with any version of QE. Libxphi is available from https://github.com/cdahnken/libxphi. Some documentation is available therein.

Instead, if you want to compile a native version of QE, you just need to add the -mmic flag and cross compile. If you want to use the symmetric mode, you need to compile twice: with and without the -mmic flag". "[...] everything, i.e. code+libraries, must be cross-compiled with the -mmic flag. In my opinion, it's pretty unlikely that native mode can outperform the execution on the standard Xeon cpu. I strongly suggest to use the Xeon Phi in offload mode, for now" (info by Fabio Affinito, March 2015).

2.9.1.2 IBM BlueGene

The current configure was working on the machines at CINECA and at Jülich. For other machines, you may need something like

  ./configure ARCH=ppc64-bg BLAS_LIBS=...  LAPACK_LIBS=... \
              SCALAPACK_DIR=... BLACS_DIR=..."
where the various *_LIBS and *_DIR "suggest" where the various libraries are located.


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Next: 3 Parallelism Up: 2 Installation Previous: 2.8 Installation tricks and   Contents