Clean up pick_nbnxn_resources
commitaecdf8a008bbb6067c993f9c9a759cf16578fb81
authorMark Abraham <mark.j.abraham@gmail.com>
Fri, 30 Jun 2017 21:16:22 +0000 (30 23:16 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 4 Jul 2017 13:36:15 +0000 (4 15:36 +0200)
tree23b0fe1e5aca1f37ae682c24d8a113544a16cb00
parent1abde69e8e6748b2c79969e3b81c3668edc4b9a7
Clean up pick_nbnxn_resources

GMX_NO_NONBONDED should not trigger GPU emulation, it should disable
nonbonded calculations. Removed that logic, and amended the
documentation.

Made emulateGpu a field of nonbonded_verlet_t, set by the environment
variable, and used it to trigger the subsequent paths.

This simplifies pick_nbnxn_resources.

Change-Id: I5ce4f69e470fe7e24bb554556211697d25f11b0f
docs/user-guide/environment-variables.rst
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/nb_verlet.h
src/gromacs/mdlib/sim_util.cpp