Revision 934 - (view) (annotate) - [select for diffs]
Modified Tue Jan 13 20:04:28 2004 UTC (21 years, 3 months ago) by tim
File length: 13174 byte(s)
Diff to previous 929

change the interface of writeFrame

 Merge the code of writeFinal and writeDump;
 Adding sortingIndex into DumpWriter;
 Fix a bug of writing last frame twice in integrator

Revision 927 - (view) (annotate) - [select for diffs]
Modified Mon Jan 12 22:54:42 2004 UTC (21 years, 3 months ago) by tim
File length: 21384 byte(s)
Diff to previous 926

fix a bug in copying string

Dumpwriter only write out the atoms on master nodes

Revision 920 - (view) (annotate) - [select for diffs]
Modified Sat Jan 10 09:46:47 2004 UTC (21 years, 3 months ago) by tim
File length: 22288 byte(s)
Diff to previous 919

tagub is not a bug. Just roll it back
fix a bug of copying string to a pointer
Still have Seg fault, it looks like a random MPI seg fault in totalview

Fix a bug of declaration of tagub

Revision 916 - (view) (annotate) - [select for diffs]
Modified Fri Jan 9 20:29:32 2004 UTC (21 years, 3 months ago) by gezelter
File length: 22281 byte(s)
Diff to previous 913

New DumpWriter (Attempt #4)

A work in progress...

Revision 912 - (view) (annotate) - [select for diffs]
Modified Thu Jan 8 18:59:36 2004 UTC (21 years, 3 months ago) by gezelter
File length: 19717 byte(s)
Diff to previous 910

null terminate some strings just in case

added strncpy to DumpWriter

Revision 907 - (view) (annotate) - [select for diffs]
Modified Thu Jan 8 17:40:56 2004 UTC (21 years, 3 months ago) by gezelter
File length: 19093 byte(s)
Diff to previous 905

First Stab at fixing DumpWriter

Fixed a bug of sending message from master node to itself in DumpWriter.cpp
and InitializeFromFile.cpp

Revision 837 - (view) (annotate) - [select for diffs]
Modified Wed Oct 29 00:19:10 2003 UTC (21 years, 6 months ago) by tim
File length: 15315 byte(s)
Diff to previous 829

add chi and eta to the comment line of dump file.

replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.

Revision 804 - (view) (annotate) - [select for diffs]
Modified Thu Oct 16 19:16:24 2003 UTC (21 years, 6 months ago) by mmeineke
File length: 15245 byte(s)
Diff to previous 787

Changed DumpReader to use linked lists instead of a vector.

Fixed the makefile to build DumpReader.cpp

Removed a comment output in Exclude.cpp

Modified DumpWriter and Integrator to write an eor file every time a frame is written.
This lets the .eor file represent the last written frame of a simulation.

cleaned things with gcc -Wall and g++ -Wall

Revision 723 - (view) (annotate) - [select for diffs]
Modified Tue Aug 26 20:12:51 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 15074 byte(s)
Diff to previous 670

added define statemewnt to Statwriter and Dumpwriter to handle files larger than 2 gb.

commented out some print statements in Zconstraint

switched SimInfo to use a system configuration from SimState rather than arrays from Atom

Revision 591 - (view) (annotate) - [select for diffs]
Modified Fri Jul 11 01:15:28 2003 UTC (21 years, 9 months ago) by gezelter
File length: 15311 byte(s)
Diff to previous 590

Fixed hmat in DumpWriter (MPI) and eor.

fixed some bugs

Revision 586 - (view) (annotate) - [select for diffs]
Modified Wed Jul 9 22:14:06 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 15192 byte(s)
Diff to previous 572

Bug fixing NPTi and NPTf. there is some error in the caclulation of HmatInverse.

fixed the bugs introduced by switching the periodic box to a matrix

Revision 483 - (view) (annotate) - [select for diffs]
Modified Wed Apr 9 04:06:43 2003 UTC (22 years ago) by gezelter
File length: 14198 byte(s)
Diff to previous 469

fixes for NPT and NVT

bug fixes

Revision 450 - (view) (annotate) - [select for diffs]
Modified Thu Apr 3 21:12:51 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 14207 byte(s)
Diff to previous 447

just little things like deleteing unused variables and such.

fixed some small things with simError.h

Revision 440 - (view) (annotate) - [select for diffs]
Modified Tue Apr 1 16:49:17 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 14296 byte(s)
Diff to previous 437

Fixed DumpWriter to be more robust to errors. also added a little namespace to InitFromFile to wrap it's helper functions in MPI

bug fix in DumpWriter.cpp

Revision 436 - (view) (annotate) - [select for diffs]
Modified Fri Mar 28 21:45:03 2003 UTC (22 years, 1 month ago) by chuckv
File length: 13369 byte(s)
Diff to previous 434

Bug fixes in read-write routines.

mpi fixes and debugging mpi read write from file.

Revision 419 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 15:07:29 2003 UTC (22 years, 1 month ago) by gezelter
File length: 12329 byte(s)
Diff to previous 417

fixes for local->global atom numbering in MPI

Fixes to fileio for MPI

Revision 416 - (view) (annotate) - [select for diffs]
Modified Wed Mar 26 23:14:02 2003 UTC (22 years, 1 month ago) by gezelter
File length: 10743 byte(s)
Diff to previous 415

bug fixes   many bug fixes

Making DumpWriter less dependent on sequence of atoms on the other
processors.  Node 0 now fires potatoes at other processors to get them
to send french fries back.

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 11992 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/DumpWriter.cpp revision 377
Diff to previous 377

This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.

New OOPSE Tree