radical-cybertools ExTASY issues

radical-cybertools / ExTASY

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Bluewaters workflows configuration

#245 ashkurti closed 8 years ago
4
How to ensure a job finished successfully

#244 ebreitmo closed 8 years ago
12
Change wrapper error detection method

#243 vivek-bala closed 8 years ago
1
Update RTD

#242 vivek-bala closed 8 years ago
1
ExTASY 0.2 new user defined kernels coam workflow fails on resources deallocation

#241 ashkurti closed 8 years ago
8
RP workflow on ARCHER gromacs/lsdmap for (0.3.14-27-g65bc062)

#240 ebreitmo closed 8 years ago
12
SingleClusterEnvironment error on shutdown

#239 ibethune closed 8 years ago
7
RP workflow on ARCHER gromacs/lsdmap

#238 ebreitmo closed 8 years ago
5
Mongodb(?) connectivity issues.

#237 ibethune closed 8 years ago
3
Modules loaded on ARCHER for coco kernel are broken

#236 ibethune closed 8 years ago
13
SAGA(?) Could not detect shell prompt on ARCHER

#235 ibethune closed 8 years ago
25
failure of rp 0.3.14 gromacs/lsdmap on archer

#234 ebreitmo closed 8 years ago
4
connection

#233 euhruska closed 8 years ago
2
`grompp_options` and `mdrun_options` not passed to run script in LSDmap

#232 dotsdl closed 8 years ago
2
Changing 'num_cores_per_sim_cu' for LSDmap does not change threads used per simulation

#231 dotsdl closed 8 years ago
7
What's the best way to upload directories as input data?

#230 dotsdl closed 8 years ago
2
Understanding the logic of run.py in gromacs_lsdmap

#229 dotsdl closed 8 years ago
6
Amber/CoCo tutorial job failing on Archer

#228 CharlieLaughton closed 8 years ago
10
ExTASY 0.2 tutorial files have moved?

#227 CharlieLaughton closed 8 years ago
5
Python errors in LSDMap CU

#226 ibethune closed 8 years ago
6
ENMD scripts are silent by default

#225 ibethune closed 8 years ago
8
error handling

#224 vivek-bala closed 8 years ago
5
emnd from master fails with grlsd on ARCHER

#223 ibethune closed 8 years ago
3
Ensemblemd version from master incorrect

#222 ibethune closed 8 years ago
2
When running something like LSDmap MD, how does one set a runtime longer than the max walltime?

#221 dotsdl closed 8 years ago
6
Can one select which atoms are used in computing the RMSD for LSDmap?

#220 dotsdl closed 8 years ago
6
failure of rp 0.3.14 gromacs/lsdmap on archer

#219 ebreitmo closed 8 years ago
50
Update to gromacs/5.1 on ARCHER

#218 ibethune closed 9 years ago
1
Update docs re: use of staging_area and 'output' directories

#217 ibethune closed 8 years ago
0
Retrieving data from LSDMap/Gromacs workflow

#216 ibethune closed 8 years ago
4
Instruction about loop-back SSH key on ARCHER

#215 ibethune closed 9 years ago
4
ensemblemd devel: 'module' object has no attribute 'CANCELLED'

#214 ibethune closed 9 years ago
2
pilot timeout

#213 peterkasson closed 9 years ago
9
Make RADICAL_ENMD_VERBOSE=Report default for extasy tools

#212 ibethune closed 9 years ago
0
CUs waiting count incorrect

#211 ibethune closed 9 years ago
6
Updated runtimes for workflows on ARCHER + Gromacs CU perf problem(?)

#210 ibethune closed 8 years ago
5
Gromas/LSDMap ExTASY 0.2 fails on Stampede

#209 ibethune closed 9 years ago
4
Gromacs/LSDMap ExTASY 0.2 fails on ARCHER

#208 ibethune closed 9 years ago
3
ExTASY 0.2 grompp not recognised on Stampede

#207 ashkurti closed 9 years ago
5
Rework the custom kernel example - split it into two files

#206 vivek-bala closed 9 years ago
1
ExTASY 0.2 - multiple_simulations_single_analysis.py fails on ARCHER

#205 ibethune closed 9 years ago
5
ExTASY 0.2 docs: list of possible 'resource' strings

#204 ibethune closed 9 years ago
4
ExTASY 0.2 examples should be a little more verbose

#203 ibethune closed 9 years ago
5
LICENSE file for ExTASY 0.1 and 0.2

#202 ibethune closed 9 years ago
1
ExTASY 0.2 examples comment missing

#201 ibethune closed 9 years ago
1
ExTASY 0.2 docs - mongodb

#200 ibethune closed 9 years ago
3
Proposal to rename backup to "output"

#199 ashkurti closed 9 years ago
0
extasy_0.2 does not produce the coco.log file locally

#198 ashkurti closed 9 years ago
1
Repo re-org

#197 vivek-bala closed 9 years ago
0
extasy 0.1 installation

#196 vivek-bala closed 9 years ago
3