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Clarify data flow in GPU task assignment
2017-08-10
Mark Abra
h
a
m
Cl
a
rify da
t
a flow in
G
PU task a
s
signment
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
Fix
i
nclude dependency for getenv
commit
|
commitdiff
|
tree
2017-08-07
Ma
r
k Abraham
Si
m
plif
i
ed han
d
li
n
g of GPU devic
e
IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Si
m
p
l
ify resource-divisio
n
efficiency
check
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Split print
h
ardware fr
o
m
d
e
tec
t
h
a
rdware
commit
|
commitdiff
|
tree
2017-08-06
M
ark Abraham
Decouple task assignment from tas
k
execution
commit
|
commitdiff
|
tree
2017-08-04
Mark
Abraha
m
Stop
u
s
i
ng hwin
f
o_
g
for
rep
o
rting c
o
d
e
commit
|
commitdiff
|
tree
2017-08-03
Mark
A
br
a
ha
m
R
e
moved unused include statem
e
nts
commit
|
commitdiff
|
tree
2017-08-01
Mark
Abraham
Introduced
M
drunner hi
g
h
-leve
l
clas
s
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
Enhance cmake and re
l
eng
h
andling o
f
GMX_USE_R
D
TSCP
commit
|
commitdiff
|
tree
2017-07-24
M
a
rk Abraham
Separated responsi
b
ili
t
y fo
r
consis
t
en
c
y
c
hecking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
Remove u
n
necessary GPU check
i
ng code
commit
|
commitdiff
|
tree
2017-07-20
Mark Abra
h
am
Cl
e
aned u
p
bUse
G
pu in runne
r
commit
|
commitdiff
|
tree
2017-07-20
M
ark Abrah
a
m
Stop
d
uplicate prin
t
ing of detected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark
A
br
a
ham
Fi
x
use of GMX_
S
I
MD in o
w
n-fftw
b
uild
commit
|
commitdiff
|
tree
2017-07-19
M
ark A
b
raham
Made post-s
u
bmit conf
i
g t
o
t
e
st clang+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
Mark
A
braham
Improve CMake im
p
lementat
i
on for GMX_SI
M
D
commit
|
commitdiff
|
tree
2017-07-18
Mark
A
bra
h
am
C
o
nverted some
c
onst pointers into const references
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Ma
r
k Abraham
El
i
m
i
nated pick
_
nbnxn_
r
eso
u
rces
commit
|
commitdiff
|
tree
2017-07-14
Mark Ab
r
aham
Implemented grompp -po for options-style mdp handling
commit
|
commitdiff
|
tree
2017-07-14
Mark Abrah
a
m
Clean up cmake bui
l
d host
d
e
t
ecti
o
n
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Cle
a
n up gmx_mdru
n
()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
C
l
eane
d
up mdrunner_start_threa
d
s
commit
|
commitdiff
|
tree
2017-07-13
Ma
r
k
Abraham
More updat
e
s to
test
i
n
g
m
atrix
commit
|
commitdiff
|
tree
2017-07-07
M
a
r
k Abraham
Refacto
r
err
o
r handling in init_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark Abraham
Simplify
gmx_gpu_opt_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraham
Clean
u
p pi
c
k_nbnx
n
_resou
r
ces
commit
|
commitdiff
|
tree
2017-07-01
Mark Ab
r
aham
Cleaned u
p
GPU emu
l
atio
n
log
i
c
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Cleaned u
p
high-level boolean variable
naming
commit
|
commitdiff
|
tree
2017-06-28
M
a
r
k Ab
r
aham
Merge b
r
anch release-
2
016
commit
|
commitdiff
|
tree
2017-06-27
Mark A
b
raham
Mino
r
impr
o
vement
s
to t
e
st confi
g
s
commit
|
commitdiff
|
tree
2017-06-22
M
a
rk A
b
r
a
ham
Consolidated logic for choosing numbe
r
of t
h
read-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Ab
r
aham
Replace
misnamed n
b
nxn_gpu
_
accele
r
ation_supported
commit
|
commitdiff
|
tree
2017-06-22
Ma
r
k Abr
a
ham
Consolidate and
f
ix logic for m
d
r
u
n -nb an
d
-gpuid
commit
|
commitdiff
|
tree
2017-06-21
Mark
A
b
r
ah
a
m
Reform ngpu variab
l
e
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraha
m
R
emove bUserSe
t
GpuIds field
commit
|
commitdiff
|
tree
2017-06-14
Mark Abra
h
am
Si
m
plif
y
repor
t
ing from init_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark
A
braham
M
o
ve gmx_parse_gpu_id o
u
t of checking function
commit
|
commitdiff
|
tree
2017-05-31
Mar
k
Abraham
N
e
w quo
t
e
commit
|
commitdiff
|
tree
2017-05-30
Mark
A
b
ra
h
am
Fi
x
NVML error messag
e
s
commit
|
commitdiff
|
tree
2017-05-27
Mar
k
Abraham
Quotes from Gottingen wo
r
kshop
commit
|
commitdiff
|
tree
2017-05-26
Mark Abra
h
am
Test i
n
vsixt
h
root
f
unct
i
on as in
t
ended
commit
|
commitdiff
|
tree
2017-05-15
Mark A
b
raham
Updat
e
d u
s
e
o
f
c
omp
i
l
e
r
s
p
e
c
ifiers
i
n
testi
n
g
commit
|
commitdiff
|
tree
2017-05-15
Mark
A
braham
U
p
dated use
o
f gcc-
5
sp
e
cifi
e
rs
commit
|
commitdiff
|
tree
2017-05-15
Mar
k
A
b
r
aham
Update
c
la
n
g static an
a
lyzer slave
t
o
use version 4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abraham
Update clang
-
4
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk Abrah
a
m
F
ix
f
or
m
atting o
f
MKL cmak
e
d
o
c
s
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk Abraham
Merge branch relea
s
e
-
2016
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Cleaned up memory usage
in gmx traj
and trjconv
commit
|
commitdiff
|
tree
2017-04-22
Mark A
b
raham
C
l
ea
n
u
p memory usa
g
e
w
i
t
h oenv and xvg wri
t
in
g
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Minor ch
a
nge
t
o GPU com
p
at
i
bility reporting han
d
lin
g
commit
|
commitdiff
|
tree
2017-04-17
M
a
rk Abra
h
am
Propos
e
a post-submit
matri
x
commit
|
commitdiff
|
tree
2017-04-03
Mark Abraham
Rem
o
v
e
d
o_pbc_first
commit
|
commitdiff
|
tree
2017-03-31
Mark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
Fix pa
r
ame
t
er de
s
cripti
o
n
f
or dihedr
a
l
_restr
a
i
nts
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add sect
i
o
n to user guide for managing si
m
ulations
commit
|
commitdiff
|
tree
2017-03-19
M
a
rk A
b
r
a
ham
Fix
s
tring handl
i
n
g for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
M
a
rk
A
braham
M
erge branch r
e
lease-2
0
16
commit
|
commitdiff
|
tree
2017-03-14
Mark Abr
a
ham
Bum
p
ed version to prepare for next patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraha
m
V
ersion 20
1
6
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abrah
a
m
Modernize write_inpfi
l
e
commit
|
commitdiff
|
tree
2017-03-13
Mark Abrah
a
m
Modernize read_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark
A
b
r
aham
Tests
f
or grompp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Ma
r
k Abra
h
a
m
Refactor G
P
U
s
election handling
commit
|
commitdiff
|
tree
2017-03-07
Ma
r
k
Abraham
Fix min
o
r issu
e
s in gmx traj
-
av -af
commit
|
commitdiff
|
tree
2017-03-04
Ma
r
k Abra
h
am
F
ixes
f
or xl com
p
i
l
ers 13
.
1
.
5
on Power8
commit
|
commitdiff
|
tree
2017-02-20
Mark Ab
r
aham
Add tests
f
o
r
old gmx energy
f
uncti
o
nalit
y
commit
|
commitdiff
|
tree
2017-02-17
Mark Abraham
Use gmx::Mutex and gmx::l
o
ck_guard to fix som
e
issu
e
s
commit
|
commitdiff
|
tree
2017-02-15
Mark Abraham
Merg
e
bra
n
ch release
-
5-1 into release-20
1
6
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraha
m
F
ix
handling of
previous
v
irial
s
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
Reduce compilation
c
oupling
commit
|
commitdiff
|
tree
2017-02-10
Mark Abraham
C
o
rrected output of gmx
do_d
s
sp -sc
commit
|
commitdiff
|
tree
2017-02-09
Mark
A
braham
Complete the rem
o
val
of
s
ta
t
eful R
N
G
commit
|
commitdiff
|
tree
2017-02-09
Mark A
b
r
ah
a
m
Improv
e
d
s
tate_change_natoms a
n
d used it more
commit
|
commitdiff
|
tree
2017-02-09
Mark Abr
a
ham
R
emove EST_D
I
S
TR
from sta
t
e
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Ab
r
aham
Enhance warninp
commit
|
commitdiff
|
tree
2017-02-08
Mark
Abraham
Extend serializ
a
ti
o
n to gmx_int
6
4_t
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
Abrah
a
m
Remove docs for unimplemented trjconv -clust
e
rce
n
ter
commit
|
commitdiff
|
tree
2017-02-08
Mark
A
b
raham
Create applied-
f
orces mod
u
l
e group
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraha
m
Give MDModul
e
s r
e
spon
s
ibili
t
y
for option handling
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k Abra
h
a
m
Merg
e
br
a
nch r
e
l
e
a
se-2
0
1
6
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Bumped version to pr
e
pare for
n
ex
t
p
atch re
l
ease
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
braham
In
t
rod
u
ced
s
ystem
pr
e
paration section to user gu
i
de
commit
|
commitdiff
|
tree
2017-02-07
Mark Abra
h
am
Version 2
0
16
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark A
b
raham
Merge branch release-5-1 into release-201
6
commit
|
commitdiff
|
tree
2017-02-03
Mark Abra
h
am
Remove typedef st
r
u
ct in some
m
d
types files
commit
|
commitdiff
|
tree
2017-02-02
M
ark Abraham
Clar
i
fy use of tau-p
a
n
d pcouplty
p
e
commit
|
commitdiff
|
tree
2017-01-31
Mark
A
braham
Merge bra
n
ch r
e
lease-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark A
b
r
aha
m
Fix multi-domain rer
u
ns
commit
|
commitdiff
|
tree
2017-01-30
Mark A
b
r
a
ham
D
on't print invalid performance data
commit
|
commitdiff
|
tree
2017-01-23
M
a
rk Abraham
S
t
opped
h
e
ader f
i
les includi
n
g state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark A
b
raham
Fixed gmx rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
M
a
rk
A
b
r
a
ham
Removed init_state
commit
|
commitdiff
|
tree
2017-01-20
M
a
rk Abraham
Initialize GMX_*_LIBRA
R
IES
cmak
e
variabl
e
s earl
i
er
commit
|
commitdiff
|
tree
2017-01-14
M
ark Abra
h
am
M
erge br
a
nch release-2016
commit
|
commitdiff
|
tree
2017-01-06
Mark Abraham
Docum
e
nt ISe
r
ializer
c
l
ass
commit
|
commitdiff
|
tree
2017-01-04
Mark A
b
raha
m
S
top trying
to use objdump
-
-reloc
o
n Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Fix documentation o
f
O
p
ti
o
n
s
V
isitor
commit
|
commitdiff
|
tree
2017-01-03
Mark Abraham
Merge branch rele
a
se-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corrected
d
ocum
e
n
t
ation about
eigenvalue hand
l
ing
commit
|
commitdiff
|
tree
next