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Fix duplicate warning
2018-01-03
Mar
k
Abrah
a
m
Fix duplicate warni
n
g
commit
|
commitdiff
|
tree
2018-01-02
Mark Abraham
Fix
m
emb
e
d by calling the p
r
ope
r
mtop fi
n
aliza
t
ion
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Ma
r
k
A
b
raham
First
release candidate for version 20
1
8
commit
|
commitdiff
|
tree
2017-12-29
Mar
k
Abraham
S
e
parate
c
a
n
Det
e
ctGp
u
s and
findGpus futher, and fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mark Abraham
Sil
e
nce POWER8 compiler warni
n
gs
commit
|
commitdiff
|
tree
2017-12-22
Mark Abrah
a
m
M
erge bran
c
h release-2016
i
nto release-2018
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Merge bra
n
c
h rele
a
se-
5
-1 into re
l
eas
e
-2016
commit
|
commitdiff
|
tree
2017-12-21
M
a
rk Abraha
m
Bump
mino
r
version for theoretical new release
commit
|
commitdiff
|
tree
2017-12-21
Mark Ab
r
aham
Update double
-
precision test co
n
fig
u
rations
commit
|
commitdiff
|
tree
2017-12-21
M
ark A
b
raham
V
ersion 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Mark Abraham
Use new defaultRealT
o
l
e
r
a
n
ce() to stabilise some tes
t
s
commit
|
commitdiff
|
tree
2017-12-20
Mark Abraham
Merge "Merge bran
c
h
rele
a
se-2016 i
n
to relea
s
e-20
1
8
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mark
Abraham
Merge branch relea
s
e
-2016 into r
e
lease-2018
commit
|
commitdiff
|
tree
2017-12-19
M
ark
A
braham
Thi
r
d
beta r
e
lease of
2018
commit
|
commitdiff
|
tree
2017-12-19
M
ark
A
braham
Fix tabl
e
tests an
d
improve table construction
commit
|
commitdiff
|
tree
2017-12-15
Mark
Abraham
Make OpenCL
implementat
i
on of gpu_ut
i
ls
tes
t
s conform
commit
|
commitdiff
|
tree
2017-12-14
Mark
Abraham
Avo
i
d confusin
g
message at end of non-dyna
m
ical
r
uns
commit
|
commitdiff
|
tree
2017-12-14
M
a
rk A
b
rah
a
m
F
ix return v
a
lu
e
s
of fram
e
-readi
n
g function
s
commit
|
commitdiff
|
tree
2017-12-14
Mark Ab
r
aham
Make AV
X
-
512
C
Make detction
w
o
rk
commit
|
commitdiff
|
tree
2017-12-14
Mar
k
Abr
a
ham
Merge "Merge b
r
a
n
ch
release-2016
into release-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Mark
Abraham
Impro
v
e grompp
m
i
ssing-par
a
meters error messa
g
e
commit
|
commitdiff
|
tree
2017-12-12
Mark
Abrah
a
m
Merge branch release-2016 into
r
elease-2018
commit
|
commitdiff
|
tree
2017-12-11
M
a
r
k
Abr
a
ham
S
e
con
d
b
e
ta
r
elease of 2018
commit
|
commitdiff
|
tree
2017-12-11
Ma
r
k Abra
h
am
Leave
NVML use off by
default
commit
|
commitdiff
|
tree
2017-12-11
Mark
Abraham
Check
for G
P
U detection
support
b
e
fore detecting
commit
|
commitdiff
|
tree
2017-12-11
Mark Abrah
a
m
Consume any error p
r
oduc
e
d
during
GPU det
e
ction
commit
|
commitdiff
|
tree
2017-12-11
Mark A
b
r
a
ha
m
Avoid signed-overflow warni
n
g with gcc 7
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
R
emov
e
SIMD s
h
ift o
p
erator
s
commit
|
commitdiff
|
tree
2017-12-08
Mark
A
braham
Refine ulp t
o
leranc
e
s for some more ewald tests
commit
|
commitdiff
|
tree
2017-12-05
Ma
r
k
Abraham
Fix mdrun -nb
a
uto -pme auto when GPUs
a
re
a
b
s
ent
commit
|
commitdiff
|
tree
2017-12-05
Mark Ab
r
aha
m
Update test
i
ng to in
c
lude cmake 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Ma
r
k Abraham
F
i
x
free_gpu
commit
|
commitdiff
|
tree
2017-12-04
M
ark Abrah
a
m
Fix u
n
u
s
ed variabl
e
s in CP
U
pr
u
ning ke
r
nels
commit
|
commitdiff
|
tree
2017-12-04
Mark
A
braham
Merge branc
h
release-2016 into release-2018
commit
|
commitdiff
|
tree
2017-12-03
M
a
rk Abraham
Fix fft5d pinning
commit
|
commitdiff
|
tree
2017-11-28
Mark
A
braham
GROMACS 2018 f
i
r
st beta release
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Updat
e
developer guide
commit
|
commitdiff
|
tree
2017-11-24
Mark Abrah
a
m
A
c
tivat
e
PME on GP
U
s
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk
Abr
a
h
a
m
Separate mana
g
em
e
nt
of GPU con
t
e
x
ts from mo
d
ule
s
commit
|
commitdiff
|
tree
2017-11-24
Mark
A
b
r
aham
Add PME integration test
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk Abrah
a
m
Ex
t
end task assignment code
commit
|
commitdiff
|
tree
2017-11-21
Mark A
b
raham
Use mu
c
h
les
s
PaddedRVe
c
Vecto
r
a
n
d
more Arr
a
yRe
f
o
f
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Ab
r
aham
Support pinning in
H
ostAllocator
commit
|
commitdiff
|
tree
2017-11-20
Mark Abraham
Fix nig
h
tly
m
atrix config
commit
|
commitdiff
|
tree
2017-11-19
M
a
rk Abraham
Fi
x
FindCUDA
.
cmake for -Wu
n
d
e
f
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk Abraham
Use HostAlloca
t
ionP
o
l
icy for ch
a
rge
A
commit
|
commitdiff
|
tree
2017-11-17
Mar
k
Abraham
Add checking function for whether a buffer is pi
n
ned
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Improve handling of PME
GP
U
force buffer
commit
|
commitdiff
|
tree
2017-11-10
Mark Abraham
Impor
t
c
m
ake Modules/FindCUDA
.
cm
a
k
e
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Prepa
r
ed t_mdat
o
ms for u
s
ing vector
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Introduc
e
HostAllocationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Abrah
a
m
Refo
r
m gmx_pme_pp alloc and use vector
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Abr
a
ham
Intr
o
duce gmx
o
p
encl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark A
b
raham
Test clan
g
on ARM in
n
ightly
mat
r
i
x
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
I
m
p
ro
v
e PME includes
commit
|
commitdiff
|
tree
2017-11-03
M
ark Abraham
Merge "Merge
branch release-2016
"
commit
|
commitdiff
|
tree
2017-11-02
M
a
rk Abra
h
am
Merge branch
r
elease-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Fix thread-MPI rank choice for orien
t
ation
rest
r
a
i
n
t
s
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Impro
v
e handling of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
M
a
rk
A
braham
Update treatment of GPU c
o
m
p
atibility
data structure
commit
|
commitdiff
|
tree
2017-10-30
Mark Abraham
F
ix and update hw_
i
nfo
commit
|
commitdiff
|
tree
2017-10-27
Mark
A
bra
h
am
Fix hw de
t
ection
m
ore
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
Make relea
s
e mat
r
ix work again
commit
|
commitdiff
|
tree
2017-10-26
M
ar
k
Abraham
New
quote
commit
|
commitdiff
|
tree
2017-10-25
Mark Abraha
m
Tea
c
h the copyright
c
h
e
c
k
er about
temp
l
ate
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abrah
a
m
Cla
r
i
fy docs for Fmax in EM
commit
|
commitdiff
|
tree
2017-10-20
Ma
r
k Abraham
Merge bran
c
h release-2016
commit
|
commitdiff
|
tree
2017-10-16
Mar
k
Abrah
a
m
M
erge bra
n
ch rel
e
ase-2
0
16
commit
|
commitdiff
|
tree
2017-10-13
Mark Abra
h
am
Up
d
ate
tests for C++11 compi
l
e
r
and st
a
ndard library
commit
|
commitdiff
|
tree
2017-10-13
Mark Ab
r
aham
Fix cp
u
info
on cla
n
g + non-x
8
6
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Introduced header f
o
r
commun
i
c
a
tion
t
o/from PME ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark
Abr
a
ham
Cleaned u
p
ewaldcoeff for PM
E
-only ra
n
ks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Use clang-5 in Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Mark Abraham
Tell cppcheck t
h
at
.
cpp and
.
cu f
i
les ar
e
c++
commit
|
commitdiff
|
tree
2017-10-05
Mark Abraham
Continue
removing -nb
gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark Ab
r
aham
Enab
l
e gro
u
p-s
c
heme SI
M
D
w
ith
GMX_S
I
MD=A
V
X
2
_12
8
commit
|
commitdiff
|
tree
2017-10-03
Ma
r
k Abraham
In
t
roduce and use AlignedA
l
l
o
c
ationPolicy
commit
|
commitdiff
|
tree
2017-09-19
Mark Abraham
Updat
e
t
e
sting matric
e
s to te
s
t wi
t
h
(
latest) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark
Abra
h
am
Merge
bran
c
h release-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark Abrah
a
m
Express intent of matrix release buil
d
t
ypes explicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Bumped patch version for next release
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
Abr
a
ham
V
ersion 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form taskassi
g
nment
m
odu
l
e
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Fix compat module definitio
n
commit
|
commitdiff
|
tree
2017-09-12
Mark Abr
a
ham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-09-07
Mark Abrah
a
m
Introd
u
ce type-safe GPU emulation
v
a
riables
commit
|
commitdiff
|
tree
2017-09-07
M
a
r
k
Abraham
Enable group
-
s
cheme SI
M
D kernels on recent AVX
e
xt
e
n
sio
n
s
commit
|
commitdiff
|
tree
2017-09-06
Mark Abraham
P
repare Verlet schem
e
l
a
ter in
runner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
F
ixes for Sola
r
is
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fix use of GPU inform
a
tion
f
or t
h
read-MP
I
s
e
t
u
p
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraha
m
Fix co
m
pi
l
er flags for
using M
K
L
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
M
e
rge branch r
e
l
ease-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-08-25
M
ark Abraham
F
i
x flat-bot
t
omed posi
t
ion restrain
t
s
wi
t
h multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mar
k
Abraham
Stopped
checkpoint influenc
i
n
g pa
r
al
l
elism setup
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Run
GPU detection even for mdrun -
n
b
cpu
commit
|
commitdiff
|
tree
2017-08-22
M
a
rk Ab
r
aham
Fixed thread-MPI wit
h
non-d
e
fault -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark
A
b
raham
Fix missing
d
eclaration of GMX_UNU
S
ED_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Merge branch rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-08-21
M
ark
A
b
raham
Moved increase_
n
stlist() to nbnxn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
M
a
rk Abraham
Fix co
m
p
i
latio
n
i
ssues
w
ith ARM SIMD
commit
|
commitdiff
|
tree
next