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Fix duplicate warning
2018-01-03
M
ark Abr
a
h
am
Fix duplicate warning
commit
|
commitdiff
|
tree
2018-01-02
M
ark Abraham
F
ix memb
e
d by calling the proper mtop fin
a
lization
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Ma
r
k Abraham
First release ca
n
didate
f
or version 2018
commit
|
commitdiff
|
tree
2017-12-29
Mark Abr
a
ha
m
Separate can
D
etectGpus and findGpus futher, and fi
x
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mark Ab
r
aha
m
Silen
c
e PO
W
E
R8
c
ompiler warnin
g
s
commit
|
commitdiff
|
tree
2017-12-22
Mark Abraham
M
e
rge
b
r
a
nch release-2016 into r
e
lease-20
1
8
commit
|
commitdiff
|
tree
2017-12-21
Mark
A
b
r
aham
Mer
g
e
branch
r
elease-5-1 into release
-
2016
commit
|
commitdiff
|
tree
2017-12-21
Mark Abrah
a
m
Bump minor version fo
r
theoret
i
cal new relea
s
e
commit
|
commitdiff
|
tree
2017-12-21
Mark
A
braham
U
pdate
d
ouble-prec
i
s
i
on test configuration
s
commit
|
commitdiff
|
tree
2017-12-21
M
a
rk Abraham
V
e
rsion 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
M
a
r
k Abraham
Us
e
ne
w
d
efaultRe
a
lTol
e
rance() to stabilise some
t
e
sts
commit
|
commitdiff
|
tree
2017-12-20
Mark
A
braham
Merge "Merge branch release-2016
into
r
e
l
e
ase
-
2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mark Abraham
Merge branch re
l
ease-2016
i
n
to
release
-
20
1
8
commit
|
commitdiff
|
tree
2017-12-19
Mar
k
Abraham
Third beta release of 2018
commit
|
commitdiff
|
tree
2017-12-19
Mark Abra
h
am
Fix
table
t
ests and improve table construction
commit
|
commitdiff
|
tree
2017-12-15
M
ark Abraham
M
ake O
p
enCL implementation
o
f gpu_uti
l
s
tests confor
m
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Avoid confus
i
ng
message at end of non-dynamical runs
commit
|
commitdiff
|
tree
2017-12-14
Mark
Ab
r
aham
Fix ret
u
rn value
s
of f
r
ame-reading fu
n
ctions
commit
|
commitdiff
|
tree
2017-12-14
Mark Abrah
a
m
Make AVX
-
5
1
2
CMake detction w
o
rk
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Merge "Merge branch
r
elease
-
2016 into release-201
8
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
M
a
rk Abrah
a
m
Im
p
rove grompp mis
s
ing-
p
a
rameter
s
error message
commit
|
commitdiff
|
tree
2017-12-12
Mark Abraham
M
e
rge branch releas
e
-2016
int
o
r
elease-2018
commit
|
commitdiff
|
tree
2017-12-11
M
a
rk Abraham
Second beta release
of 2018
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
L
e
ave
NVML use
off by de
f
a
u
lt
commit
|
commitdiff
|
tree
2017-12-11
M
a
r
k Abraham
C
h
eck for GPU detectio
n
support
b
efo
r
e
detectin
g
commit
|
commitdiff
|
tree
2017-12-11
Mark
A
braham
C
onsume any
err
o
r
produced du
r
ing G
P
U de
t
e
ction
commit
|
commitdiff
|
tree
2017-12-11
Mark Abra
h
am
Avoid
signe
d
-ove
r
f
low
warning wit
h
gc
c
7
commit
|
commitdiff
|
tree
2017-12-11
M
ark
Abraha
m
Remove SIMD
s
hift operators
commit
|
commitdiff
|
tree
2017-12-08
Mark Abraha
m
Refin
e
u
lp tol
e
ra
n
ces for some m
o
re ewald t
e
sts
commit
|
commitdiff
|
tree
2017-12-05
Mar
k
Abraham
F
ix
mdr
u
n -nb au
t
o -pme
auto w
h
en GPUs are absent
commit
|
commitdiff
|
tree
2017-12-05
Mark Ab
r
a
h
am
Up
d
ate testing to include c
m
ake 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Fix free_gpu
commit
|
commitdiff
|
tree
2017-12-04
M
a
r
k
Abrah
a
m
Fix un
u
sed var
i
ab
l
es in CPU pruning kernels
commit
|
commitdiff
|
tree
2017-12-04
Mark
A
braham
Mer
g
e branch rel
e
ase-2
0
16 into rele
a
se-2018
commit
|
commitdiff
|
tree
2017-12-03
Mark Ab
r
ah
a
m
Fix fft
5
d
pinning
commit
|
commitdiff
|
tree
2017-11-28
Mark
Abraham
GROMACS
2
018
f
irst beta release
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk Abraha
m
U
pdate
d
eveloper gui
d
e
commit
|
commitdiff
|
tree
2017-11-24
Mark Abrah
a
m
Activate PM
E
on GPUs
commit
|
commitdiff
|
tree
2017-11-24
Mar
k
A
b
raha
m
S
e
pa
r
ate manag
e
ment
o
f
GPU c
o
n
t
e
xts
from modules
commit
|
commitdiff
|
tree
2017-11-24
Mark A
b
raham
Add PME in
t
e
gra
t
i
o
n test
commit
|
commitdiff
|
tree
2017-11-24
Mark Abrah
a
m
Ext
e
n
d task assign
m
ent code
commit
|
commitdiff
|
tree
2017-11-21
Mark Abra
h
am
Use much le
s
s Pad
d
edRVecVector and more ArrayRef of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Supp
o
rt pin
n
ing in
H
ostAllocat
o
r
commit
|
commitdiff
|
tree
2017-11-20
Ma
r
k Abraham
Fix nig
h
tly matrix config
commit
|
commitdiff
|
tree
2017-11-19
Mark Abraham
Fi
x
FindCUDA
.
cmake for -
W
undef
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Use HostAllocationP
o
l
i
cy for chargeA
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Add checking function for whether a
b
uffer is p
i
nned
commit
|
commitdiff
|
tree
2017-11-17
Mark Abr
a
ham
Improve h
a
ndling of PME
G
P
U
f
o
r
c
e buffer
commit
|
commitdiff
|
tree
2017-11-10
Mark
Abraham
Impor
t
c
make Modules/FindCUDA
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
P
repa
r
ed t_
m
datoms fo
r
using vector
commit
|
commitdiff
|
tree
2017-11-09
Ma
r
k Abraham
Introduce H
o
stAllocationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Abra
h
a
m
R
e
form gmx_pme_p
p
al
l
oc a
n
d use
vector
commit
|
commitdiff
|
tree
2017-11-07
Mark A
b
raham
Introdu
c
e
gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraha
m
T
e
st
clang on ARM in n
i
ghtly matr
i
x
commit
|
commitdiff
|
tree
2017-11-07
Mark Abr
a
ham
I
m
prove PME in
c
l
u
des
commit
|
commitdiff
|
tree
2017-11-03
Mar
k
A
braham
Me
r
ge "Merge branc
h
rel
e
ase-2016"
commit
|
commitdiff
|
tree
2017-11-02
M
a
r
k
A
b
r
ah
a
m
Merge
b
r
a
nch releas
e
-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abrah
a
m
F
ix thread-MPI rank cho
i
ce for orientati
o
n restra
i
nts
commit
|
commitdiff
|
tree
2017-11-01
Mark Abrah
a
m
Improv
e
h
a
n
dling
o
f GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraham
Update trea
t
ment of
G
PU
c
o
m
pati
b
i
lity dat
a
s
t
ructure
commit
|
commitdiff
|
tree
2017-10-30
Mar
k
Abraham
Fi
x
and
updat
e
hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
F
i
x
hw d
e
t
ection m
o
re
commit
|
commitdiff
|
tree
2017-10-26
Mark Ab
r
aham
Ma
k
e release m
a
trix
wo
r
k
a
gain
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
N
e
w quote
commit
|
commitdiff
|
tree
2017-10-25
Mark
A
braham
Teach the cop
y
right check
e
r about tem
p
late
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abr
a
h
a
m
Cla
r
i
f
y docs for Fmax
in
E
M
commit
|
commitdiff
|
tree
2017-10-20
Mark A
b
raham
Merge
br
a
n
ch
release-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark Abra
h
a
m
M
e
r
ge branch
r
elease-2016
commit
|
commitdiff
|
tree
2017-10-13
M
ark Abraham
Upda
t
e tests for C++11 compiler and standard library
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Fix cpuinfo on clang + non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
I
ntroduce
d
head
e
r fo
r
communication to/from
PME ran
k
s
commit
|
commitdiff
|
tree
2017-10-11
M
ark Abraham
Cleaned up ewal
d
coe
f
f for
PME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Use
c
lan
g
-5
i
n Je
n
k
i
n
s
commit
|
commitdiff
|
tree
2017-10-07
Mark Abraham
Tell cppcheck that
.
c
p
p and
.
cu fil
e
s are c++
commit
|
commitdiff
|
tree
2017-10-05
Mark
Abr
a
ham
C
o
ntinue removi
n
g -nb gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark Abraham
Enable gr
o
up-sche
m
e SIMD wi
t
h GMX_SIMD=
A
VX2
_
128
commit
|
commitdiff
|
tree
2017-10-03
Mar
k
Abraha
m
Introdu
c
e a
n
d use Align
e
dAllocatio
n
Polic
y
commit
|
commitdiff
|
tree
2017-09-19
M
ark
Abrah
a
m
Update testing mat
r
ices t
o
t
es
t
with (latest)
i
cc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark A
b
r
a
h
am
Merge branc
h
re
l
e
a
se-2
0
1
6
commit
|
commitdiff
|
tree
2017-09-15
M
ark Abraham
Express intent of matrix relea
s
e build t
y
pes expli
c
itly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Bum
p
ed pa
t
ch version f
o
r next rel
e
a
se
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
V
e
rsion 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
F
orm taska
s
signm
e
nt m
o
dule
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Fix
c
o
mpat
module
definition
commit
|
commitdiff
|
tree
2017-09-12
Mark Abr
a
ham
M
erge b
r
anch rel
e
ase
-
2016
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraha
m
Introduce t
y
pe
-
safe GPU emulation variables
commit
|
commitdiff
|
tree
2017-09-07
Mark
Abraham
Enable gro
u
p
-scheme SIMD ke
r
n
els on rece
n
t AVX extension
s
commit
|
commitdiff
|
tree
2017-09-06
Mark Abra
h
am
Prepare Ve
r
l
et scheme
l
ater in
runner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abrah
a
m
Fixes for Solari
s
commit
|
commitdiff
|
tree
2017-09-05
Mark Abr
a
h
am
Fix use of GPU information for thread-MPI s
e
tup
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Fix compiler flags
fo
r
us
i
ng
M
KL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abrah
a
m
M
e
rge bra
n
ch r
e
leas
e
-5
-
1 in
t
o release-201
6
commit
|
commitdiff
|
tree
2017-08-25
Mark Abraha
m
Fix flat-bottomed
p
osition restraints
with multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
Sto
p
ped checkpo
i
nt influencin
g
p
a
r
a
l
lelism setu
p
commit
|
commitdiff
|
tree
2017-08-22
Mark Abrah
a
m
R
u
n
GP
U
detection e
v
en for mdru
n
-nb
c
pu
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
raham
Fixed thre
a
d-MPI with non-default -n
p
me
commit
|
commitdiff
|
tree
2017-08-22
Ma
r
k Abraham
Fix miss
i
ng decl
a
ration of GMX_UNUS
E
D
_
V
ALUE
commit
|
commitdiff
|
tree
2017-08-22
Mar
k
Abraham
Merge branch rel
e
a
s
e
-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Move
d
increase_nstli
s
t() to nbn
x
n_
t
unin
g
.
h
commit
|
commitdiff
|
tree
2017-08-21
M
ark Abraham
F
ix compilati
o
n i
s
su
e
s with ARM SIMD
commit
|
commitdiff
|
tree
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