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Allow empty lines in hdb files
2018-01-02
Ma
r
k
Abraham
Fix membe
d
by
c
alli
n
g t
h
e proper m
t
o
p
f
inalization
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Ma
r
k Abraha
m
First release cand
i
date for ve
r
s
ion 2018
commit
|
commitdiff
|
tree
2017-12-29
Mark A
b
raham
Separate
canDetectGpus a
n
d findGpus futhe
r
,
a
n
d
fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mark Abraham
Si
l
ence POWER8 compile
r
warnings
commit
|
commitdiff
|
tree
2017-12-22
Mark
A
bra
h
a
m
Merge br
a
nch release-2016 into relea
s
e
-2018
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Merge
b
ra
n
ch r
e
lease
-
5-1 int
o
r
elease-2016
commit
|
commitdiff
|
tree
2017-12-21
M
a
rk Abr
a
ham
Bump minor v
e
rsion
f
or theore
t
ical new release
commit
|
commitdiff
|
tree
2017-12-21
Mar
k
A
braham
Upda
t
e d
o
uble
-
precisio
n
t
e
st configurat
i
o
n
s
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Version 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Mark Abraham
Use new def
a
ultRealTolerance() to
stabilise som
e
te
s
t
s
commit
|
commitdiff
|
tree
2017-12-20
Mark Abr
a
ha
m
Merge "Merge
b
ran
c
h rele
a
se-2
0
16
i
nto release-
2
018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mar
k
Abrah
a
m
Merg
e
b
ranch rel
e
ase-2016 into r
e
lease-2018
commit
|
commitdiff
|
tree
2017-12-19
Mark Abraham
T
h
ird beta releas
e
of 2018
commit
|
commitdiff
|
tree
2017-12-19
M
ark A
b
raham
Fix table tests and improve table
c
on
s
truct
i
o
n
commit
|
commitdiff
|
tree
2017-12-15
Mark Abraham
Mak
e
O
pe
n
CL implementa
t
i
o
n of
g
pu_uti
l
s tests conform
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Avoid confusing message at
e
nd o
f
non-dynamical run
s
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Fix return va
l
u
es of frame-reading fu
n
c
tions
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Make AVX-5
1
2
C
Make de
t
cti
o
n wo
r
k
commit
|
commitdiff
|
tree
2017-12-14
M
ark Abraham
M
er
g
e
"Merge br
a
nch rele
a
se-
2
016 into release-201
8
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Ma
r
k
A
braham
Im
p
rove g
r
omp
p
mis
s
ing-pa
r
ameters error
m
e
ssage
commit
|
commitdiff
|
tree
2017-12-12
Mark Abra
h
am
Merg
e
branch release
-
2016
i
nto re
l
ease-2018
commit
|
commitdiff
|
tree
2017-12-11
M
a
rk
A
braham
Second beta release of
2018
commit
|
commitdiff
|
tree
2017-12-11
Mark Ab
r
aham
Le
a
v
e NVML use off by default
commit
|
commitdiff
|
tree
2017-12-11
M
ark Abraham
Check
for GPU d
e
tection sup
p
ort
before
detecting
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Consum
e
any error produced during GPU
d
et
e
ction
commit
|
commitdiff
|
tree
2017-12-11
Mark
Abraham
Avoid si
g
ned-over
f
l
o
w
wa
r
n
i
ng with
gcc 7
commit
|
commitdiff
|
tree
2017-12-11
Mark Abrah
a
m
Remove SIMD shift operators
commit
|
commitdiff
|
tree
2017-12-08
M
a
rk Abraham
Refin
e
ulp
t
oleran
c
es
for so
m
e
m
o
re ewald tests
commit
|
commitdiff
|
tree
2017-12-05
Mark A
b
rah
a
m
Fix
mdrun -nb a
u
to -pme auto when GP
U
s are a
b
sent
commit
|
commitdiff
|
tree
2017-12-05
Mark Abraham
Upda
t
e
t
e
s
t
i
ng to include cmake 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark
A
braham
Fi
x
free_
g
pu
commit
|
commitdiff
|
tree
2017-12-04
Mar
k
Abraham
Fix
u
nused v
a
riables in CPU pruning ker
n
els
commit
|
commitdiff
|
tree
2017-12-04
Mark Abr
a
ham
Merge
b
ran
c
h release-2016
i
nto r
e
l
e
ase
-
2018
commit
|
commitdiff
|
tree
2017-12-03
Mark A
b
r
aham
F
ix fft5d pin
n
ing
commit
|
commitdiff
|
tree
2017-11-28
Mark
A
bra
h
am
GROMA
C
S 2
0
1
8
f
ir
s
t beta release
commit
|
commitdiff
|
tree
2017-11-24
Mark Ab
r
aham
Upda
t
e
developer guide
commit
|
commitdiff
|
tree
2017-11-24
Ma
r
k Abr
a
h
a
m
Activate
P
ME on
G
P
U
s
commit
|
commitdiff
|
tree
2017-11-24
Mar
k
A
b
ra
h
a
m
Separate managem
e
nt of GPU contexts from modules
commit
|
commitdiff
|
tree
2017-11-24
M
ark Abraham
A
dd PME integrat
i
o
n
test
commit
|
commitdiff
|
tree
2017-11-24
Ma
r
k Abraham
E
x
tend task
a
ssignment code
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Use mu
c
h les
s
PaddedRVecVecto
r
and more
A
rra
y
Ref
o
f
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Suppor
t
pin
n
ing in
H
ostAllocat
o
r
commit
|
commitdiff
|
tree
2017-11-20
Mar
k
A
brah
a
m
Fix ni
g
htly ma
t
r
i
x
config
commit
|
commitdiff
|
tree
2017-11-19
Mark
Abraham
Fix Fi
n
dCUD
A
.
cmake for
-
Wundef
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraha
m
Use HostA
l
loca
t
ionPolicy for cha
r
g
eA
commit
|
commitdiff
|
tree
2017-11-17
Mark Abrah
a
m
Add
ch
e
c
king f
u
n
c
tion for
whether
a
buffer is pinned
commit
|
commitdiff
|
tree
2017-11-17
Mark Abra
h
am
Improve handling of P
M
E GPU
f
orce bu
f
fer
commit
|
commitdiff
|
tree
2017-11-10
Mark Ab
r
a
h
am
Import
c
m
a
ke Modules/Fin
d
C
U
DA
.
c
make
commit
|
commitdiff
|
tree
2017-11-09
Mark
Abraham
Pr
e
pared t_
m
d
a
t
o
m
s for usin
g
vector
commit
|
commitdiff
|
tree
2017-11-09
Mark
Abraham
I
nt
r
o
d
uce HostAllocationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Abrah
a
m
Ref
o
rm gmx_pme_pp alloc
a
nd use vector
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
I
ntroduce gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Ab
r
aham
Test
clang on ARM in nightl
y
matrix
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Improv
e
P
ME includes
commit
|
commitdiff
|
tree
2017-11-03
Mark Abraham
M
e
rge
"
Me
r
ge
branch release-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abra
h
am
Merge branc
h
r
elease-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark A
b
raham
Fix thread-MPI
r
ank
c
hoice for ori
e
ntation restr
a
ints
commit
|
commitdiff
|
tree
2017-11-01
Mark
Abraham
Improve handling of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
M
ark Abraham
Update treatmen
t
of GPU compat
i
bi
l
ity d
a
ta structure
commit
|
commitdiff
|
tree
2017-10-30
M
a
rk
A
braham
Fix and
upd
a
te hw
_
i
n
f
o
commit
|
commitdiff
|
tree
2017-10-27
Mark Abr
a
ham
Fix hw detection
m
ore
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
Make release matri
x
work again
commit
|
commitdiff
|
tree
2017-10-26
Mark
Abraham
New quote
commit
|
commitdiff
|
tree
2017-10-25
Mark
A
braham
Tea
c
h
the
c
o
pyright checker
a
bout template
.
cp
p
commit
|
commitdiff
|
tree
2017-10-20
Mark Abr
a
ham
Clarify docs for Fmax in EM
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraham
Merge branch
re
l
ease-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark A
b
raham
Me
r
ge br
a
nch release-2016
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraha
m
Update tests
f
o
r C++11 compiler and standard lib
r
ary
commit
|
commitdiff
|
tree
2017-10-13
Ma
r
k Abraham
Fix c
p
u
info
o
n cla
n
g + non
-
x86
commit
|
commitdiff
|
tree
2017-10-11
M
ark
Abrah
a
m
Introd
u
ced h
e
ad
e
r
for communica
t
ion
t
o/from
PME ra
n
ks
commit
|
commitdiff
|
tree
2017-10-11
Mark
Abraham
C
l
e
ane
d
u
p ewaldcoeff for PME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
M
a
r
k Abra
h
am
Use clang-5
i
n
Je
n
kins
commit
|
commitdiff
|
tree
2017-10-07
Mark Abraham
Te
l
l
cpp
c
heck that
.
cpp
and
.
cu fil
e
s are
c++
commit
|
commitdiff
|
tree
2017-10-05
Ma
r
k Abr
a
ham
Continue remov
i
ng -
n
b
gpu_
c
pu
commit
|
commitdiff
|
tree
2017-10-04
M
a
rk
A
bra
h
a
m
Enable group-scheme SI
M
D wi
t
h GM
X
_SIMD=AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraha
m
I
ntrod
u
ce and use AlignedAllocat
i
o
nPolicy
commit
|
commitdiff
|
tree
2017-09-19
Ma
r
k Abraham
Upda
t
e testi
n
g
m
atrices to
test with (latest) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark Ab
r
aham
Merge
b
ranc
h
release-201
6
commit
|
commitdiff
|
tree
2017-09-15
M
ark Abraham
E
xpre
s
s inte
n
t of
m
atrix releas
e
b
uild types
e
xp
l
icitly
commit
|
commitdiff
|
tree
2017-09-15
Mark
A
braha
m
Bump
e
d p
a
tch vers
i
on for next
relea
s
e
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Version 201
6
.
4
commit
|
commitdiff
|
tree
2017-09-14
M
ark Abra
h
am
Form taskas
s
ignment module
commit
|
commitdiff
|
tree
2017-09-14
M
a
rk Ab
r
aham
F
ix compat module definition
commit
|
commitdiff
|
tree
2017-09-12
Mar
k
Abraham
Merge
b
r
anch release-2016
commit
|
commitdiff
|
tree
2017-09-07
M
a
rk Abraham
I
ntr
o
duce
t
ype-safe GPU emula
t
ion
v
ariabl
e
s
commit
|
commitdiff
|
tree
2017-09-07
Mark Abra
h
a
m
E
n
able group-scheme SIMD
k
ernels on recent AVX exte
n
sions
commit
|
commitdiff
|
tree
2017-09-06
Mark A
b
raham
Prepare
V
erl
e
t sc
h
eme
l
ate
r
in runner
commit
|
commitdiff
|
tree
2017-09-05
Ma
r
k Abraham
Fixe
s
for Solaris
commit
|
commitdiff
|
tree
2017-09-05
M
ark Abraham
Fix
u
se of GPU
i
n
f
ormation fo
r
thre
a
d-
M
PI set
u
p
commit
|
commitdiff
|
tree
2017-09-03
Mark Abr
a
h
a
m
Fix c
o
mpiler flags f
o
r using MKL
commit
|
commitdiff
|
tree
2017-09-03
M
a
rk Abraha
m
Merge branch re
l
ease-5-
1
i
nto
r
elease-20
1
6
commit
|
commitdiff
|
tree
2017-08-25
Mark Abrah
a
m
Fix flat-botto
m
ed positi
o
n restraints
with multip
l
e
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
Stopped
checkpoint
influ
e
n
cing parallelism set
u
p
commit
|
commitdiff
|
tree
2017-08-22
Mark
A
brah
a
m
Run GPU detection
even for mdrun -nb cp
u
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
ra
h
am
Fixed thread-MPI with non-d
e
faul
t
-npme
commit
|
commitdiff
|
tree
2017-08-22
M
a
rk Abra
h
am
Fix missing de
c
laration of
G
MX_UNU
S
ED_V
A
LUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Ab
r
aham
Mer
g
e br
a
nch rele
a
s
e-2
0
16
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
M
o
ve
d
increase_nstlist() to nbnxn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mar
k
Abraham
Fix compilat
i
on issu
e
s wit
h
AR
M
SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark Ab
r
aham
Replace
con
s
is
t
ency c
h
ecking with assertion
commit
|
commitdiff
|
tree
next