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ExTASY
MDEnsemble
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ExTASY 0.2 - support for pyCoCo -s option?
#195
CharlieLaughton
closed
8 years ago
3
CoCo-Amber workflow on Archer only works if use e290 account
#194
CharlieLaughton
closed
8 years ago
8
Error running extasy version 0.2 (ticket from bitbucket)
#193
vivek-bala
closed
8 years ago
22
Location of ExTASY 0.2 examples
#192
ibethune
closed
8 years ago
4
COCO workflow requires LSDMap input file when using Gromacs
#191
TensorDuck
closed
8 years ago
4
In 0.2, add how long for the examples to run on the remote machines.
#190
vivek-bala
closed
8 years ago
1
Add some details in 0.2 docs on installing/setting up env for local gromacs/amber/lsdmap/coco packages
#189
vivek-bala
closed
8 years ago
1
Add enmd examples to extasy 0.2 docs
#188
vivek-bala
closed
8 years ago
1
Check printed scripts in docs 0.1 & 0.2
#187
vivek-bala
closed
8 years ago
0
Job starts but fails
#186
TensorDuck
closed
8 years ago
3
Check that kernels needed by the workflows are working during startup
#185
ibethune
closed
8 years ago
6
Remove host-specific setups from the kernels
#184
ibethune
closed
8 years ago
2
Add methods to check if each of the kernels are available on the remote machine.
#183
vivek-bala
closed
8 years ago
1
Documentation on how to add a new execution host
#182
ibethune
closed
9 years ago
0
Support pyCoCo -s flag in ExTASY 0.1.1
#181
ibethune
closed
8 years ago
3
Document how to define new execution hosts
#180
ibethune
closed
9 years ago
1
API Documentation for ExTASY 0.2
#179
ibethune
closed
9 years ago
1
Check that expected files are produced by GROMACS/LSDMap
#178
ibethune
closed
9 years ago
1
Check that expected files are produced by COCO / AMBER
#177
ibethune
closed
9 years ago
1
Build failing (according to 0.1 Jenkins page)
#176
ibethune
closed
8 years ago
0
change remote host labels to the new format
#175
vivek-bala
closed
9 years ago
1
CUs should check the return code during execution failure
#174
vivek-bala
closed
8 years ago
1
Add support for newer version of CoCo
#173
vivek-bala
closed
8 years ago
1
add documentation for inter node ssh on Archer
#172
vivek-bala
closed
9 years ago
0
/fs4 referred to directly in ARCHER shared virtualenv
#171
ibethune
closed
9 years ago
5
CoCo not working on STAMPEDE due to changes in STAMPEDE
#170
ashkurti
closed
8 years ago
4
extasy 0.1.4beta mac->ARCHER restart
#169
ebreitmo
closed
9 years ago
8
num_cores_per_sim_cu > 1 has no effect on ARCHER
#168
ibethune
closed
9 years ago
11
Connection to MongoDB failures
#167
ibethune
closed
9 years ago
8
Better support for CSH
#166
ibethune
closed
9 years ago
0
Simplify getting the tutorial files
#165
ibethune
closed
9 years ago
0
Difficulties installing virtualenv
#164
ibethune
closed
9 years ago
0
Make branch between Stampede & ARCHER explicit
#163
ibethune
closed
9 years ago
0
Improved error messages for common failure cases
#162
ibethune
closed
9 years ago
3
Upon Failure, Logentry objects are printed instead of strings
#161
oleweidner
closed
9 years ago
0
Formatting error in documentation
#160
oleweidner
closed
9 years ago
2
Tool hangs at shutdown (GROMACS/LSDMap)
#159
oleweidner
closed
9 years ago
8
ExTASY continues upon failure
#158
oleweidner
closed
9 years ago
2
Gromacs/LSDMap fails on ARCHER in data staging step
#157
ibethune
closed
9 years ago
2
COCO/Amber CU failed due to I/O error during output staging
#156
ibethune
closed
9 years ago
8
COCO/Amber on ARCHER - hangs in Cycle 1 MD
#155
ibethune
closed
9 years ago
6
Documentation; Amber/Cocol Understanding the output; extasy version: 0.1.3.1-beta-14-g7c361ec
#154
antonst
closed
9 years ago
0
Gromacs/LSDMap on Stampede; extasy version: 0.1.3.1-beta-14-g7c361ec
#153
antonst
closed
9 years ago
7
Documentation: coco/amber on archer; extasy version: 0.1.3.1-beta-14-g7c361ec; broken link
#152
antonst
closed
9 years ago
1
Amber/Coco on STAMPEDE extasy version: 0.1.3.1-beta-14-g7c361ec
#151
antonst
closed
9 years ago
1
Amber/Coco on STAMPEDE extasy version: 0.1.3.1-beta-8-gf8ad235
#150
ashkurti
closed
9 years ago
5
coam-on-stampede file staging error
#149
andre-merzky
closed
9 years ago
12
Amber/Coco on ARCHER, using 0.1.3-beta
#148
ebreitmo
closed
9 years ago
24
Version reporting
#147
oleweidner
closed
9 years ago
1
Failure of Amber/CoCo on Stampede when numIterations = 9
#146
ashkurti
closed
9 years ago
35
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