ERMOD 0.2-alpha1 is released

[Shun Sakuraba]

ERMOD version 0.2-alpha1 is released. This release is in "Alpha" stage; see http://en.wikipedia.org/wiki/Software_release_life_cycle#Alpha for explanation.
This program is not suitable for production run and only recommended to experienced users.

Note: users for GROMACS version should run new version of gen_structure and gen_input to update input files to the latest format.
Note 2: values in weight_soln may be different from that obtained in ver. 0.1.
Several values in reference system may be different (within statistical variation) because of different random number generator and different parallelization.

* Introduced a new parallelization mechanism. ERMOD can now be run with 100+ cores without significant I/O contention.
** Related tickets: #23
* Combined with the new parallelization, solution system speed is significantly improved (up to +350%).
* The memory footprint is significantly decreased.
* The programs for NAMD and GROMACS are now merged into a single program.
** Related tickets: #7, #24
* Reworked computational kernel and improved performance. (still ongoing)
* For NVT solution system with a fixed solute, self-energy is calculated only once for each process.

The archive can be obtained at:
http://kaimen.kuicr.kyoto-u.ac.jp/archive/er-solvation/0.2(experimental)/

Enjoy!
--
Shun SAKURABA, Ph.D.
Postdoc @ Prof. Matubayasi's Lab in KUICR, Kyoto Univ