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Remove duplicate GPU non-usage hint
2017-08-16
Mark
A
braham
Remove dup
l
ic
a
te GP
U
non-usage hint
commit
|
commitdiff
|
tree
2017-08-16
Mark Ab
r
a
ham
Moved logging functionality into GPU
u
sage report
commit
|
commitdiff
|
tree
2017-08-15
B
e
r
k
H
ess
Add O
p
e
n
M
P for orientation restraints
commit
|
commitdiff
|
tree
2017-08-15
Be
r
k H
e
ss
U
se graph with
o
rient
a
tio
n
r
e
s
traint
s
commit
|
commitdiff
|
tree
2017-08-10
Mark Abrah
a
m
Clarify data flow in GPU
t
ask
a
s
s
ignment
commit
|
commitdiff
|
tree
2017-08-07
Mar
k
Abraha
m
S
implified handling of GPU
d
evice IDs
commit
|
commitdiff
|
tree
2017-08-06
M
a
r
k Abraham
Split pr
i
nthardware
f
r
om detecth
a
rdwa
r
e
commit
|
commitdiff
|
tree
2017-07-27
M
.
Eric Irrgang
Pro
v
ide STL
make_u
n
ique template function
.
commit
|
commitdiff
|
tree
2017-07-24
Mark A
b
raham
S
e
parated re
s
ponsibility for
c
onsistency checking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraha
m
Remove unnecessary GPU che
c
king
c
ode
commit
|
commitdiff
|
tree
2017-07-20
Mark Abr
a
ham
Cleane
d
up bUseGpu
i
n runner
commit
|
commitdiff
|
tree
2017-07-20
P
eter Kasso
n
R
e
w
ork
a
nd
r
e
name gmx_sel
e
c
t_gpu_id
s
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Stop duplicate printing of d
e
tected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraha
m
Fix
u
s
e of
GMX_SIMD
in own-fftw b
u
ild
commit
|
commitdiff
|
tree
2017-07-18
Mark
A
braham
Conver
t
ed some
c
onst pointers into cons
t
re
f
e
rences
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
M
a
rk Abraham
Elimin
a
t
ed pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-13
Ma
r
k
Abr
a
ham
M
o
re u
p
dates to testing matrix
commit
|
commitdiff
|
tree
2017-07-10
Carste
n
Kutzner
Add
e
d
m
is
s
i
n
g
.
m
d
p file documentation for the enforc
e
d
.
.
.
commit
|
commitdiff
|
tree
2017-06-09
Carsten
Kutzner
Moved
e
ssential d
y
namics initialization call into d
o
_md(
)
commit
|
commitdiff
|
tree
2017-06-09
Berk H
e
s
s
Replace
i
so by instead
o
f
commit
|
commitdiff
|
tree
2017-06-09
Carsten
Kutzner
Adopt and d
o
cument implem
e
nt
a
ti
o
n p
o
licy fo
r
MD modules
commit
|
commitdiff
|
tree
2017-06-08
Berk Hess
Fix
C
O
M pu
l
l f
o
rce with SD
commit
|
commitdiff
|
tree
2017-06-07
Berk Hess
Avoid gr
o
mpp charge warning w
i
th rounding
commit
|
commitdiff
|
tree
2017-06-05
Szilárd Páll
Add CUDA 8
.
0 + SIMD pre-submit test
commit
|
commitdiff
|
tree
2017-06-04
Berk Hess
Fix
checkpoint read
i
ng without
e
n
ergy history
commit
|
commitdiff
|
tree
2017-05-30
Mark A
b
raham
Fix NVML error messa
g
es
commit
|
commitdiff
|
tree
2017-05-29
Jiri Kraus
Up
d
a
te FindNVML t
o
fix
#2061
commit
|
commitdiff
|
tree
2017-05-27
Berk Hess
M
ade duplicate atoms in
b
ondeds an error
commit
|
commitdiff
|
tree
2017-05-23
E
r
ik
Lindahl
Updated coo
l
q
u
otes
commit
|
commitdiff
|
tree
2017-05-23
Ber
k
Hess
Add c
o
nserved quantity for
B
eren
d
sen P-coupl
e
commit
|
commitdiff
|
tree
2017-05-23
Szi
l
árd
Páll
A
d
d basic doxyg
e
n fo
r
t
h
e Verlet nonbonded mo
d
ule
commit
|
commitdiff
|
tree
2017-05-23
Berk
Hess
A
dd
c
onserved
q
.
f
or PR and
Berendsen T-co
u
p
le
commit
|
commitdiff
|
tree
2017-05-23
Berk Hess
Make DD s
e
tup
o
bey PME res
t
rictions
commit
|
commitdiff
|
tree
2017-05-22
Berk Hess
Introduce Observable
s
H
i
story con
t
ain
e
r
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix LYN charges in amber03
commit
|
commitdiff
|
tree
2016-09-07
Mark Ab
r
a
ham
Fix amber03 HIP
charges
commit
|
commitdiff
|
tree
2015-07-05
Tee
m
u
M
u
r
tola
Im
p
rove
g
m
x
h
e
l
p
-expor
t
Sphinx reb
u
i
l
d b
e
havior
commit
|
commitdiff
|
tree
2014-01-08
Pet
e
r Kasson
Che
c
k
pointing fix for Native Cl
i
ent
commit
|
commitdiff
|
tree
2013-12-29
Peter Kas
s
on
Pa
t
c
h
f
o
r N
a
tive
Clie
n
t builds
.
commit
|
commitdiff
|
tree
2013-02-28
Peter Kass
o
n
Declaration-definition consi
s
tency nbxn
_
cuda_wait_gpu
.
commit
|
commitdiff
|
tree