[cctbxbb] Building cctbx & friends with intel compilers

Billy Poon bkpoon at lbl.gov
Thu Jun 29 11:33:41 PDT 2017

Hi Graeme,

Mike Wall and I worked through the process back at the DIALS workshop in

The steps for compiling with the Intel compilers are,

1) Copy the base and modules directories (base came from the CentOS 6 build
of cctbx)
2) Create the build directory
3) In the build directory, run python
../modules/cctbx_project/libtbx/configure.py dials xfel prime
xfel_regression --compiler="icc"
4) Run make twice to completely compile everything.
5) Source setpaths.sh (or setpaths.csh) to set up the cctbx environment

The base dependencies are not compiled with the Intel compilers. There may
be additional quirks with each dependency when using the Intel compilers.

Billy K. Poon
Research Scientist, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
1 Cyclotron Road, M/S 33R0345
Berkeley, CA 94720
Tel: (510) 486-5709
Fax: (510) 486-5909
Web: https://phenix-online.org

On Thu, Jun 29, 2017 at 7:55 AM, <Graeme.Winter at diamond.ac.uk> wrote:

> Greetings all,
> Do we have a recipe for compiling cctbx etc with icc?
> To pick a random example, this version:
> icc (ICC) 17.0.4 20170411
> Copyright (C) 1985-2017 Intel Corporation.  All rights reserved.
> Thanks Graeme
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