Amber Developers Archive Feb 2010: by subject

[AMBER-Developers] Adding fortran module into nab with some catches.
- Mengjuei Hsieh (Thu Feb 11 2010 - 14:22:50 PST)
- case (Thu Feb 11 2010 - 14:12:52 PST)
- Mengjuei Hsieh (Thu Feb 11 2010 - 13:15:29 PST)
- Mengjuei Hsieh (Thu Feb 11 2010 - 00:29:40 PST)
- Ray Luo (Wed Feb 10 2010 - 18:58:46 PST)
- Mengjuei Hsieh (Wed Feb 10 2010 - 17:02:07 PST)
- case (Wed Feb 10 2010 - 05:55:48 PST)
- Mengjuei Hsieh (Tue Feb 09 2010 - 18:57:06 PST)
- case (Tue Feb 09 2010 - 07:06:23 PST)
- MengJuei Hsieh (Tue Feb 09 2010 - 03:07:46 PST)
[AMBER-Developers] Almost ready for first Amber11 release candidate
- Volodymyr Babin (Sat Feb 27 2010 - 20:13:24 PST)
- Ross Walker (Sat Feb 27 2010 - 19:57:25 PST)
- Ross Walker (Sat Feb 27 2010 - 19:53:43 PST)
- case (Sat Feb 27 2010 - 19:44:28 PST)
[AMBER-Developers] Amber tools 1.4?
- case (Mon Feb 22 2010 - 17:29:34 PST)
- Jason Swails (Mon Feb 22 2010 - 16:43:59 PST)
- Ross Walker (Mon Feb 22 2010 - 16:29:32 PST)
[AMBER-Developers] ambpdb -aatm prints nulls in output PDB
- Tom Joseph (Fri Feb 12 2010 - 15:41:07 PST)
- Ben Roberts (Fri Feb 12 2010 - 15:34:07 PST)
- Tom Joseph (Fri Feb 12 2010 - 15:08:28 PST)
[AMBER-Developers] Assembler speaks -- is this important?
- Lachele Foley (Wed Feb 24 2010 - 08:32:23 PST)
[AMBER-Developers] bug in ptraj.c (AmberTools 1.3)
- Hannes Loeffler (Tue Feb 23 2010 - 08:16:02 PST)
- Daniel Roe (Tue Feb 23 2010 - 07:32:03 PST)
- Hannes Loeffler (Tue Feb 23 2010 - 01:20:58 PST)
- Scott Brozell (Mon Feb 22 2010 - 09:26:47 PST)
- Daniel Roe (Mon Feb 22 2010 - 09:22:56 PST)
- Daniel Roe (Mon Feb 22 2010 - 09:20:05 PST)
- Hannes Loeffler (Mon Feb 22 2010 - 08:57:35 PST)
[AMBER-Developers] bug in transformWatershell/actions.c (AmberTools 1.3)
- Hannes Loeffler (Tue Feb 23 2010 - 03:32:54 PST)
- Hannes Loeffler (Tue Feb 23 2010 - 01:59:35 PST)
- Hannes Loeffler (Tue Feb 23 2010 - 01:45:32 PST)
[AMBER-Developers] Bugfix 31
- case (Thu Feb 25 2010 - 05:24:15 PST)
- steinbrt.rci.rutgers.edu (Thu Feb 25 2010 - 02:19:51 PST)
[AMBER-Developers] compile errors
- Scott Brozell (Fri Feb 26 2010 - 13:51:05 PST)
- case (Fri Feb 26 2010 - 07:37:48 PST)
- Scott Brozell (Thu Feb 25 2010 - 21:45:17 PST)
- Jason Swails (Thu Feb 25 2010 - 19:29:18 PST)
- case (Thu Feb 25 2010 - 19:04:07 PST)
- Jason Swails (Thu Feb 25 2010 - 16:21:18 PST)
[AMBER-Developers] Configure script and parallel build of sander
- Scott Brozell (Mon Feb 08 2010 - 15:47:59 PST)
[AMBER-Developers] constant pH setup in sleap
- Jason Swails (Sun Feb 28 2010 - 13:02:31 PST)
- Wei Zhang (Sun Feb 28 2010 - 12:49:33 PST)
- Jason Swails (Tue Feb 23 2010 - 07:40:11 PST)
- case (Tue Feb 23 2010 - 07:20:19 PST)
- Jason Swails (Mon Feb 22 2010 - 21:57:30 PST)
[AMBER-Developers] CVS versioning question
- Gustavo Seabra (Sun Feb 28 2010 - 05:52:20 PST)
[AMBER-Developers] DFTB test in Amber 11 - seg fault (fwd)
- Scott Brozell (Mon Feb 08 2010 - 15:40:21 PST)
- Ben Roberts (Sat Feb 06 2010 - 06:35:35 PST)
- Scott Brozell (Fri Feb 05 2010 - 21:33:33 PST)
[AMBER-Developers] double4 in cuda?
- Ross Walker (Tue Feb 23 2010 - 11:58:54 PST)
- case (Tue Feb 23 2010 - 11:37:40 PST)
[AMBER-Developers] Duplicate subroutines in protonate
- Ben Roberts (Wed Feb 10 2010 - 14:32:44 PST)
- case (Wed Feb 10 2010 - 14:14:47 PST)
- Ben Roberts (Wed Feb 10 2010 - 13:23:38 PST)
[AMBER-Developers] Error compiling under cygwin
- case (Sat Feb 27 2010 - 07:42:51 PST)
- Daniel Roe (Sat Feb 27 2010 - 06:20:28 PST)
[AMBER-Developers] General test failure question
- Gustavo Seabra (Sat Feb 27 2010 - 14:07:48 PST)
- Ben Roberts (Fri Feb 26 2010 - 21:41:56 PST)
- Gustavo Seabra (Fri Feb 26 2010 - 17:05:47 PST)
- Ben Roberts (Fri Feb 26 2010 - 16:48:02 PST)
- Gustavo Seabra (Fri Feb 26 2010 - 11:16:10 PST)
- Ben Roberts (Fri Feb 26 2010 - 09:01:09 PST)
- Gustavo Seabra (Fri Feb 26 2010 - 08:52:33 PST)
- case (Fri Feb 26 2010 - 08:29:15 PST)
- case (Fri Feb 26 2010 - 08:27:30 PST)
- Gustavo Seabra (Fri Feb 26 2010 - 08:06:14 PST)
- Ben Roberts (Fri Feb 26 2010 - 07:55:25 PST)
- Sally Pias (Wed Feb 24 2010 - 09:00:07 PST)
- Gustavo Seabra (Wed Feb 24 2010 - 05:45:23 PST)
- Lachele Foley (Tue Feb 23 2010 - 15:40:36 PST)
- Ben Roberts (Tue Feb 23 2010 - 15:05:05 PST)
[AMBER-Developers] incompatible processor requirements in parallel tests
- Volodymyr Babin (Thu Feb 18 2010 - 20:02:10 PST)
- Jason Swails (Thu Feb 18 2010 - 20:01:34 PST)
- Ross Walker (Thu Feb 18 2010 - 19:37:01 PST)
- Volodymyr Babin (Thu Feb 18 2010 - 19:35:27 PST)
- Volodymyr Babin (Thu Feb 18 2010 - 19:22:02 PST)
- Volodymyr Babin (Thu Feb 18 2010 - 19:06:12 PST)
- Lachele Foley (Thu Feb 18 2010 - 14:20:19 PST)
- Jason Swails (Thu Feb 18 2010 - 13:29:55 PST)
- Ross Walker (Thu Feb 18 2010 - 13:13:27 PST)
- Jason Swails (Thu Feb 18 2010 - 12:59:30 PST)
- Lachele Foley (Thu Feb 18 2010 - 12:46:35 PST)
- Volodymyr Babin (Thu Feb 18 2010 - 12:39:02 PST)
- Jason Swails (Thu Feb 18 2010 - 12:17:18 PST)
- Volodymyr Babin (Thu Feb 18 2010 - 12:07:33 PST)
- Jason Swails (Thu Feb 18 2010 - 11:32:26 PST)
- Lachele Foley (Thu Feb 18 2010 - 08:55:51 PST)
[AMBER-Developers] intel64: feupdateenv is not implemented and will always fail
- David A. Case (Wed Feb 17 2010 - 18:53:49 PST)
- Jason Swails (Wed Feb 17 2010 - 15:05:46 PST)
- David A. Case (Wed Feb 17 2010 - 14:44:36 PST)
- Lachele Foley (Wed Feb 17 2010 - 12:23:34 PST)
- Jason Swails (Wed Feb 17 2010 - 12:15:11 PST)
- Lachele Foley (Wed Feb 17 2010 - 12:04:44 PST)
[AMBER-Developers] ips.f::aips_sumrc() is not using nfftdim2 and nfftdim3
- Mark Williamson (Tue Feb 02 2010 - 13:18:56 PST)
[AMBER-Developers] ips.f::aips_sumrc() is not using nfftdim2 andnfftdim3
- Mark Williamson (Tue Feb 02 2010 - 14:47:43 PST)
- Robert Duke (Tue Feb 02 2010 - 13:42:35 PST)
[AMBER-Developers] ips.f::aips_sumrc() is not using nfftdim2andnfftdim3
- Ross Walker (Tue Feb 02 2010 - 16:28:21 PST)
- Wu, Xiongwu (NIH/NHLBI) [E] (Tue Feb 02 2010 - 16:14:10 PST)
- Scott Brozell (Tue Feb 02 2010 - 15:56:45 PST)
- Scott Brozell (Tue Feb 02 2010 - 15:45:49 PST)
- Robert Duke (Tue Feb 02 2010 - 14:53:36 PST)
[AMBER-Developers] low priority newbie CVS question
- Scott Brozell (Tue Feb 23 2010 - 14:44:53 PST)
- case (Tue Feb 23 2010 - 08:07:36 PST)
- Lachele Foley (Tue Feb 23 2010 - 08:00:54 PST)
- Ben Roberts (Tue Feb 23 2010 - 07:23:44 PST)
- case (Tue Feb 23 2010 - 07:15:27 PST)
- Ben Roberts (Tue Feb 23 2010 - 07:10:11 PST)
- Lachele Foley (Tue Feb 23 2010 - 06:53:28 PST)
[AMBER-Developers] minor-ish AT parallel make request
- David A. Case (Wed Feb 17 2010 - 15:01:33 PST)
- Lachele Foley (Wed Feb 17 2010 - 14:44:41 PST)
- David A. Case (Wed Feb 17 2010 - 14:37:23 PST)
- Lachele Foley (Wed Feb 17 2010 - 13:58:06 PST)
[AMBER-Developers] mm-pbsa undefined reference to dpotrs_
- Andreas Goetz (Sun Feb 28 2010 - 20:46:14 PST)
- case (Sun Feb 28 2010 - 17:59:00 PST)
- Andreas Goetz (Sun Feb 28 2010 - 15:12:14 PST)
[AMBER-Developers] mpif77 & Fortran 90
- Lachele Foley (Wed Feb 24 2010 - 12:54:34 PST)
- Lachele Foley (Wed Feb 24 2010 - 12:45:08 PST)
- Jason Swails (Wed Feb 24 2010 - 12:29:15 PST)
- Lachele Foley (Wed Feb 24 2010 - 12:19:56 PST)
- case (Wed Feb 24 2010 - 11:45:24 PST)
- Lachele Foley (Wed Feb 24 2010 - 10:56:07 PST)
[AMBER-Developers] multisander print statement
- case (Wed Feb 10 2010 - 08:36:29 PST)
- Jason Swails (Wed Feb 10 2010 - 08:29:07 PST)
- Carlos Simmerling (Wed Feb 10 2010 - 08:07:35 PST)
- Jason Swails (Wed Feb 10 2010 - 08:04:58 PST)
[AMBER-Developers] new scripts for testing
- case (Sat Feb 27 2010 - 19:01:40 PST)
- Thorsten M Woelfle (Sat Feb 27 2010 - 12:05:33 PST)
- Ben Roberts (Sat Feb 27 2010 - 09:50:07 PST)
- Ross Walker (Sat Feb 27 2010 - 11:40:25 PST)
- case (Sat Feb 27 2010 - 09:38:55 PST)
- Ben Roberts (Sat Feb 27 2010 - 09:17:04 PST)
- case (Sat Feb 27 2010 - 08:37:42 PST)
[AMBER-Developers] parallel sander QMMM tests broken?
- Andreas Goetz (Tue Feb 23 2010 - 04:27:34 PST)
- case (Thu Feb 18 2010 - 10:39:34 PST)
- Mengjuei Hsieh (Thu Feb 18 2010 - 10:15:44 PST)
- case (Thu Feb 18 2010 - 06:20:09 PST)
- case (Thu Feb 18 2010 - 05:35:47 PST)
- Mengjuei Hsieh (Thu Feb 18 2010 - 04:08:27 PST)
- Mengjuei Hsieh (Wed Feb 17 2010 - 14:06:07 PST)
- case (Wed Feb 17 2010 - 12:17:17 PST)
- Mengjuei Hsieh (Wed Feb 17 2010 - 11:48:54 PST)
- Mengjuei Hsieh (Wed Feb 17 2010 - 11:46:39 PST)
- case (Wed Feb 17 2010 - 07:59:06 PST)
- MengJuei Hsieh (Tue Feb 16 2010 - 13:58:16 PST)
- case (Tue Feb 16 2010 - 05:35:11 PST)
[AMBER-Developers] plans for CVS freeze, etc.
- case (Sat Feb 06 2010 - 18:12:44 PST)
- Jason Swails (Sat Feb 06 2010 - 15:59:02 PST)
- case (Sat Feb 06 2010 - 15:23:11 PST)
[AMBER-Developers] problem compiling new checkout
- Tyler Luchko (Thu Feb 25 2010 - 12:41:56 PST)
- Jason Swails (Thu Feb 25 2010 - 12:37:29 PST)
[AMBER-Developers] problems with resp_modules
- Mengjuei Hsieh (Thu Feb 11 2010 - 11:21:00 PST)
- Mark Williamson (Thu Feb 11 2010 - 09:34:41 PST)
- Ben Roberts (Wed Feb 10 2010 - 15:41:28 PST)
- case (Wed Feb 10 2010 - 15:20:01 PST)
[AMBER-Developers] questions about compiler flags
- Scott Brozell (Tue Feb 02 2010 - 13:16:02 PST)
- Mengjuei Hsieh (Tue Feb 02 2010 - 12:13:51 PST)
- Ross Walker (Tue Feb 02 2010 - 07:28:51 PST)
- Robert Duke (Tue Feb 02 2010 - 05:28:38 PST)
- case (Tue Feb 02 2010 - 05:21:54 PST)
- Robert Duke (Tue Feb 02 2010 - 05:17:31 PST)
- Mengjuei Hsieh (Tue Feb 02 2010 - 01:40:09 PST)
- Volodymyr Babin (Mon Feb 01 2010 - 19:12:33 PST)
- case (Mon Feb 01 2010 - 12:18:40 PST)
[AMBER-Developers] recent PB changes?
- Ray Luo (Fri Feb 05 2010 - 13:33:31 PST)
- Mengjuei Hsieh (Fri Feb 05 2010 - 11:47:09 PST)
- Jason Swails (Fri Feb 05 2010 - 10:16:30 PST)
[AMBER-Developers] resp.f missing
- case (Thu Feb 11 2010 - 18:54:13 PST)
- case (Thu Feb 11 2010 - 18:54:07 PST)
- Andreas Goetz (Thu Feb 11 2010 - 18:39:47 PST)
- MengJuei Hsieh (Thu Feb 11 2010 - 18:14:20 PST)
- Andreas Goetz (Thu Feb 11 2010 - 18:05:36 PST)
[AMBER-Developers] sander arpack undefined reference to second_
- Andreas Goetz (Sun Feb 28 2010 - 15:03:51 PST)
- Andreas Goetz (Sun Feb 28 2010 - 14:39:21 PST)
- case (Sun Feb 28 2010 - 10:17:48 PST)
- case (Sun Feb 28 2010 - 09:41:44 PST)
- Gustavo Seabra (Sun Feb 28 2010 - 05:44:00 PST)
- Andreas Goetz (Sun Feb 28 2010 - 05:06:13 PST)
[AMBER-Developers] Scalar vs. array mix-up in QMGB
- Ben Roberts (Fri Feb 12 2010 - 10:32:00 PST)
- case (Thu Feb 11 2010 - 14:29:34 PST)
- Ben Roberts (Thu Feb 11 2010 - 13:47:32 PST)
- Ross Walker (Thu Feb 11 2010 - 09:31:45 PST)
- case (Wed Feb 10 2010 - 14:52:01 PST)
- Ben Roberts (Wed Feb 10 2010 - 12:26:30 PST)
[AMBER-Developers] Scalar vs. array mix-up in QMGB (fwd)
- Scott Brozell (Fri Feb 19 2010 - 18:01:34 PST)
[AMBER-Developers] SCEE and SCNB removed
- Wei Zhang (Mon Feb 15 2010 - 06:56:11 PST)
- Lachele Foley (Fri Feb 12 2010 - 06:01:04 PST)
- Ross Walker (Thu Feb 11 2010 - 20:15:36 PST)
- Wei Zhang (Wed Feb 10 2010 - 18:08:01 PST)
- Lachele Foley (Wed Feb 10 2010 - 11:08:22 PST)
- Ross Walker (Wed Feb 10 2010 - 09:27:46 PST)
- case (Wed Feb 10 2010 - 07:55:28 PST)
- Ross Walker (Wed Feb 10 2010 - 03:43:28 PST)
- Wei Zhang (Tue Feb 09 2010 - 07:43:18 PST)
- Lachele Foley (Tue Feb 09 2010 - 06:33:35 PST)
- Ross Walker (Mon Feb 08 2010 - 23:30:57 PST)
- Lachele Foley (Mon Feb 08 2010 - 12:42:56 PST)
- Lachele Foley (Mon Feb 08 2010 - 07:52:01 PST)
- Ross Walker (Mon Feb 08 2010 - 06:43:22 PST)
[AMBER-Developers] simplepbsa build errors with commercial compilers
- Jason Swails (Tue Feb 09 2010 - 13:22:43 PST)
- MengJuei Hsieh (Tue Feb 09 2010 - 13:17:41 PST)
- case (Tue Feb 09 2010 - 13:06:57 PST)
- MengJuei Hsieh (Tue Feb 09 2010 - 11:55:42 PST)
- MengJuei Hsieh (Tue Feb 09 2010 - 11:43:59 PST)
- Jason Swails (Tue Feb 09 2010 - 11:36:53 PST)
- case (Tue Feb 09 2010 - 11:30:03 PST)
- Jason Swails (Tue Feb 09 2010 - 10:34:41 PST)
[AMBER-Developers] sleap / tleap box type confusion?
- Wei Zhang (Mon Feb 22 2010 - 20:17:12 PST)
- case (Mon Feb 22 2010 - 13:04:08 PST)
- Jason Swails (Mon Feb 22 2010 - 12:55:41 PST)
[AMBER-Developers] The Boost headers
- case (Fri Feb 26 2010 - 06:13:35 PST)
- Ben Roberts (Thu Feb 25 2010 - 20:59:48 PST)
- Wei Zhang (Thu Feb 25 2010 - 15:04:06 PST)
- Ben Roberts (Wed Feb 24 2010 - 08:24:45 PST)
- Wei Zhang (Wed Feb 24 2010 - 07:51:29 PST)
- case (Wed Feb 24 2010 - 06:05:24 PST)
- Ben Roberts (Wed Feb 24 2010 - 05:41:40 PST)
[AMBER-Developers] Use of ifdef'ed includes and "use module x" in many {pb, np}_*.f files is breaking ./src/sander/makedepend
- Mengjuei Hsieh (Fri Feb 19 2010 - 11:53:21 PST)
- Mark Williamson (Thu Feb 18 2010 - 20:15:16 PST)
[AMBER-Developers] writers of parallel tests
- Scott Brozell (Mon Feb 22 2010 - 09:43:50 PST)
- Carlos Simmerling (Sun Feb 21 2010 - 07:12:08 PST)
- Jason Swails (Sun Feb 21 2010 - 06:45:31 PST)
- Carlos Simmerling (Sun Feb 21 2010 - 06:19:08 PST)
- Lachele Foley (Fri Feb 19 2010 - 06:50:12 PST)
- Scott Brozell (Thu Feb 18 2010 - 23:57:48 PST)
[AMBER] ptraj, imaging for NAMD generated dcd files, Error in tokenize
- Hannes Loeffler (Thu Feb 25 2010 - 05:41:43 PST)
- Daniel Roe (Thu Feb 25 2010 - 05:30:02 PST)
- case (Thu Feb 25 2010 - 05:14:13 PST)
problem compiling new checkout
- Jason Swails (Thu Feb 25 2010 - 13:06:18 PST)
- Tyler Luchko (Thu Feb 25 2010 - 12:58:29 PST)
- Jason Swails (Thu Feb 25 2010 - 12:45:23 PST)

Amber Developers Archive Feb 2010 by subject