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Fix free_gpu
2017-12-04
Mark Abraha
m
F
ix fre
e
_gpu
commit
|
commitdiff
|
tree
2017-12-04
Mark Abr
a
h
am
Fix unused variabl
e
s in CPU pruning kernels
commit
|
commitdiff
|
tree
2017-12-03
Mark Abraham
Fix fft
5
d
p
inni
n
g
commit
|
commitdiff
|
tree
2017-11-28
Mar
k
Abr
a
ham
GROMACS 2018 first
b
eta release
commit
|
commitdiff
|
tree
2017-11-24
Mark Abrah
a
m
Update developer guide
commit
|
commitdiff
|
tree
2017-11-24
Mark Abrah
a
m
Ac
t
ivate
PME on
GPUs
commit
|
commitdiff
|
tree
2017-11-24
Mark
A
b
r
aham
Separate management
of GPU
c
ont
e
xts from m
o
dules
commit
|
commitdiff
|
tree
2017-11-24
Mark
Abraha
m
A
d
d PME integration test
commit
|
commitdiff
|
tree
2017-11-24
Mark A
b
r
a
ham
Ext
e
nd
task assign
m
e
n
t code
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Us
e
much less PaddedRVecV
e
ctor and more ArrayR
e
f of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
M
ark Abraha
m
S
upport
pinning in HostAllocator
commit
|
commitdiff
|
tree
2017-11-20
Mark Abraham
F
ix n
i
ghtly matrix co
n
fig
commit
|
commitdiff
|
tree
2017-11-19
Mark Abra
h
am
Fix Fin
d
CUDA
.
cmake for -Wu
n
d
ef
commit
|
commitdiff
|
tree
2017-11-17
Ma
r
k Abraham
Use
HostAllo
c
ation
P
ol
i
c
y
for cha
r
g
eA
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk Abraham
Add
c
hecking fun
c
tion for whet
h
er a buffer is p
i
nned
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk Abraham
Improve
handli
n
g of PME GPU force bu
f
fer
commit
|
commitdiff
|
tree
2017-11-10
Mark Abraham
Import cmake Mo
d
ules/Fi
n
dCUDA
.
cmak
e
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Prepared
t
_mda
t
oms for
u
sing v
e
c
tor
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Introduce HostAllocationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraha
m
R
eform
gmx_
p
me_pp alloc and use vector
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Introduce
gm
x
opencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark A
b
r
ah
a
m
Tes
t
clan
g
on ARM in
nightly matrix
commit
|
commitdiff
|
tree
2017-11-07
Ma
r
k Ab
r
a
ham
Improve
P
ME includ
e
s
commit
|
commitdiff
|
tree
2017-11-03
Mark Abraham
Merg
e
"Merge branc
h
release-2
0
1
6
"
commit
|
commitdiff
|
tree
2017-11-02
M
a
rk Abraham
M
e
rge branc
h
release-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Fix thre
a
d-MPI
r
a
n
k choice for orienta
t
ion restraints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Impro
v
e handling
of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark Abrah
a
m
U
pdat
e
tr
e
a
tment of GPU compatibili
t
y data
struc
t
ure
commit
|
commitdiff
|
tree
2017-10-30
Mark A
b
raham
F
ix
a
n
d update hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mar
k
Abraham
Fix hw detection more
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
M
a
ke release
m
a
trix work ag
a
in
commit
|
commitdiff
|
tree
2017-10-26
Mar
k
Abr
a
ham
New quote
commit
|
commitdiff
|
tree
2017-10-25
M
a
r
k
Abraham
Te
a
ch the copyright checker abou
t
templa
t
e
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraha
m
Clarify docs for
F
m
a
x in
E
M
commit
|
commitdiff
|
tree
2017-10-20
M
ark Abraha
m
Merge bran
c
h release-2016
commit
|
commitdiff
|
tree
2017-10-16
M
a
rk Abrah
a
m
M
e
rge branch release-2016
commit
|
commitdiff
|
tree
2017-10-13
Mark
A
braham
Update
te
s
ts
f
or C++11 co
m
piler an
d
standard
library
commit
|
commitdiff
|
tree
2017-10-13
M
ark A
b
r
aha
m
Fix cpuinfo
on clang + non-x86
commit
|
commitdiff
|
tree
2017-10-11
M
ark
Ab
r
aham
Introduced
h
eader f
o
r communicatio
n
to/from PM
E
ranks
commit
|
commitdiff
|
tree
2017-10-11
Ma
r
k Abraham
Cleaned
u
p
ew
a
ldc
o
e
ff for PME-o
n
ly
ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Use cla
n
g-
5
in Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Ma
r
k A
b
raham
Tell cpp
c
h
e
ck t
h
at
.
cpp and
.
cu fil
e
s are c++
commit
|
commitdiff
|
tree
2017-10-05
Ma
r
k
A
b
r
aham
C
o
ntinue
removing -nb gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
M
ark Ab
r
aham
Enable group-sc
h
e
m
e SIMD with GMX_
S
IMD=AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Ma
r
k Abraham
Int
r
oduce
and use Ali
g
nedAllocat
i
onP
o
licy
commit
|
commitdiff
|
tree
2017-09-19
Mark Abraham
Up
d
ate te
s
t
i
ng matrices to te
s
t with (la
t
est) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark
Abraham
Merge
branch release-
2
0
1
6
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraha
m
Express
i
nten
t
of
matrix release build types explicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraha
m
Bumped pa
t
c
h
version
for
next
release
commit
|
commitdiff
|
tree
2017-09-15
Mark
Abraha
m
Version 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form taskassignment module
commit
|
commitdiff
|
tree
2017-09-14
Mar
k
Abraham
Fix compat module definitio
n
commit
|
commitdiff
|
tree
2017-09-12
Mark Abr
a
ham
M
erge br
a
nch release-2016
commit
|
commitdiff
|
tree
2017-09-07
Mark
A
b
r
aham
Int
r
oduce
t
ype-sa
f
e GPU emu
l
atio
n
v
ariables
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
Enable
g
r
o
u
p-scheme
S
I
MD ke
r
nels
o
n
r
ecen
t
AVX
e
xt
e
nsions
commit
|
commitdiff
|
tree
2017-09-06
Mark
A
braham
P
r
epare Ve
r
let scheme later
in runner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
F
i
x
e
s
for Solaris
commit
|
commitdiff
|
tree
2017-09-05
Mark
A
bra
h
a
m
Fix use
o
f GPU
i
nformation for thre
a
d
-MPI
s
etup
commit
|
commitdiff
|
tree
2017-09-03
Mar
k
A
b
ra
h
am
Fix com
p
iler flags
f
or using MKL
commit
|
commitdiff
|
tree
2017-09-03
M
ark Abraham
Merge branch re
l
e
ase
-
5-1
into release-
2
016
commit
|
commitdiff
|
tree
2017-08-25
Mark
A
brah
a
m
Fix
f
lat-bottome
d
posi
t
ion restraints with multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
Stopped chec
k
poi
n
t influencing paralleli
s
m setup
commit
|
commitdiff
|
tree
2017-08-22
M
ark Abraham
R
u
n GPU dete
c
tion even fo
r
mdrun
-
nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark
Abraham
Fix
e
d
thread-
M
PI with
n
on-
d
efault -npme
commit
|
commitdiff
|
tree
2017-08-22
M
ark Abraham
Fix m
i
ssing
d
eclaration of GMX_UNUSED_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark
Abra
h
am
Merge b
r
anch rele
a
se-
2
0
1
6
commit
|
commitdiff
|
tree
2017-08-21
Mark Abra
h
am
M
o
ved increase
_
nstlist() to
nbnxn_tu
n
ing
.
h
commit
|
commitdiff
|
tree
2017-08-21
M
a
r
k Abraham
Fix compilation issue
s
w
ith ARM S
I
MD
commit
|
commitdiff
|
tree
2017-08-17
M
a
rk Abraham
Replace
consis
t
ency checking wi
t
h assertion
commit
|
commitdiff
|
tree
2017-08-16
Mark Ab
r
aham
Parse
u
ser-sup
p
li
e
d G
P
U task assig
n
ment only when needed
commit
|
commitdiff
|
tree
2017-08-16
Mark A
b
r
aham
Remo
v
e du
p
licate GP
U
non-
u
sage hint
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Moved lo
g
ging functionality into GPU usage report
commit
|
commitdiff
|
tree
2017-08-15
M
ark
Ab
r
ah
a
m
Merge bran
c
h rele
a
se-5-1 i
n
to release-2016
commit
|
commitdiff
|
tree
2017-08-15
M
a
r
k
Abraham
Fix val
u
e
of Ewald shift
commit
|
commitdiff
|
tree
2017-08-10
Mark Abrah
a
m
C
l
ari
f
y data flow in GPU ta
s
k assig
n
ment
commit
|
commitdiff
|
tree
2017-08-07
M
a
rk Abr
a
h
a
m
Fi
x
in
c
l
u
de
d
ep
e
ndency for getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark Abr
a
ham
Simplified
han
d
l
ing of GPU
d
evi
c
e
IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark
A
braham
Simplify
r
e
source-divi
s
ion e
f
ficien
c
y check
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Split printh
a
rdware from d
e
t
ecth
a
rdware
commit
|
commitdiff
|
tree
2017-08-06
Mark
A
b
r
aham
Decouple task assi
g
nmen
t
from t
a
sk executi
o
n
commit
|
commitdiff
|
tree
2017-08-06
Mark A
b
ra
h
am
Removed unused h
o
st-side allocation
c
o
d
e
commit
|
commitdiff
|
tree
2017-08-04
Mar
k
Abraham
S
t
op using h
w
inf
o
_g for reporting code
commit
|
commitdiff
|
tree
2017-08-03
M
a
rk Abraha
m
Removed unused include sta
t
ements
commit
|
commitdiff
|
tree
2017-08-01
Mark
A
bra
h
am
Introd
u
c
e
d
Mdru
n
ne
r
h
i
gh-l
e
v
e
l
class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
Enhanc
e
cmak
e
a
n
d releng handli
n
g of
G
M
X
_USE_RDTSC
P
commit
|
commitdiff
|
tree
2017-07-24
Mark Abr
a
ham
Separa
t
ed r
e
sponsibility for consistency checking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
Remove unnece
s
sary GP
U
checking
code
commit
|
commitdiff
|
tree
2017-07-20
M
a
rk
A
b
raha
m
C
leaned
up b
U
seGpu
i
n
r
unner
commit
|
commitdiff
|
tree
2017-07-20
Ma
r
k
Abraham
Stop duplicat
e
printi
n
g
o
f detected GPU
s
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Fix u
s
e of GMX_SIMD in o
w
n-fftw bui
l
d
commit
|
commitdiff
|
tree
2017-07-19
Ma
r
k
Abrah
a
m
Made
post-su
b
mit config to test clan
g
+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
Ma
r
k Abraham
Improve
C
Mak
e
implemen
t
a
t
ion for
GMX
_
S
IM
D
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
C
onvert
e
d some const
pointe
r
s into co
n
s
t
re
f
e
ren
c
es
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark
A
b
raham
Elimi
n
ated pick_nbnxn_resourc
e
s
commit
|
commitdiff
|
tree
2017-07-14
M
ar
k
Ab
r
aham
Im
p
le
m
ented grompp -po for
op
t
ion
s
-st
y
le mdp
h
andling
commit
|
commitdiff
|
tree
2017-07-14
M
ark Abraha
m
Clean
up cmake build
hos
t
det
e
ction
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Clea
n
up gmx
_
mdru
n
()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
C
l
ea
n
ed up mdrunner
_
start_t
h
reads
commit
|
commitdiff
|
tree
2017-07-13
Mar
k
Ab
r
aham
More updates to te
s
tin
g
matrix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
R
efact
o
r
e
rro
r
handli
n
g i
n
init_gpu
commit
|
commitdiff
|
tree
next