repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Fix legacy topology memory error
2017-12-30
Mark Ab
r
ah
a
m
Fir
s
t release ca
n
didat
e
for version 20
1
8
commit
|
commitdiff
|
tree
2017-12-29
Mark
Abrah
a
m
Separate canDete
c
tGpus and findGpus futher, a
n
d fi
x
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mar
k
A
braha
m
Sil
e
nce POWER8 compi
l
er warn
i
ng
s
commit
|
commitdiff
|
tree
2017-12-22
Mark A
b
r
aham
Merge branch re
l
ease-2016 into release-2
0
18
commit
|
commitdiff
|
tree
2017-12-21
Mark
A
braha
m
Mer
g
e bran
c
h
releas
e
-5-1 i
n
to release-2016
commit
|
commitdiff
|
tree
2017-12-21
Mark Ab
r
a
ham
B
u
mp mi
n
or version f
o
r
theoreti
c
al ne
w
release
commit
|
commitdiff
|
tree
2017-12-21
Mark Ab
r
aham
Update double
-
precision test configurations
commit
|
commitdiff
|
tree
2017-12-21
Ma
r
k A
b
raham
Version 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
M
a
rk
Abraham
Use
n
ew default
R
ealToleranc
e
() to stabilise some tes
t
s
commit
|
commitdiff
|
tree
2017-12-20
Mark Ab
r
aham
Me
r
g
e
"Merge
branch
r
elease
-
2
0
1
6
into
re
l
ease-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Ma
r
k A
b
raham
M
e
rge
branch release-2016
i
nto
r
elease-2018
commit
|
commitdiff
|
tree
2017-12-19
M
a
rk
Abraham
Third beta releas
e
of 2018
commit
|
commitdiff
|
tree
2017-12-19
Mark Ab
r
aham
Fix
table
tests and impr
o
ve
t
able
c
onstruction
commit
|
commitdiff
|
tree
2017-12-15
Mark
Abraham
M
a
k
e OpenCL implementati
o
n
of gpu_utils tests conform
commit
|
commitdiff
|
tree
2017-12-14
M
a
rk Abraham
Av
o
id conf
u
si
n
g message a
t
e
n
d
of
n
on-dynamical runs
commit
|
commitdiff
|
tree
2017-12-14
M
ark Abr
a
ham
Fix ret
u
rn valu
e
s of frame-reading functio
n
s
commit
|
commitdiff
|
tree
2017-12-14
M
a
rk Abraham
Ma
k
e AVX-
5
1
2 C
M
a
k
e detction work
commit
|
commitdiff
|
tree
2017-12-14
Mark
Abr
a
ham
Merge "Merge branch release
-
2016 into release-
2
018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Mark A
b
raham
I
m
prove grompp
m
issing-parame
t
ers er
r
or mess
a
ge
commit
|
commitdiff
|
tree
2017-12-12
Mark Abraham
Merge branch release-201
6
into re
l
ea
s
e-2018
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
Abraham
Second beta rel
e
ase of 2018
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
Abraham
Leave NVML
u
se off by de
f
ault
commit
|
commitdiff
|
tree
2017-12-11
Ma
r
k Abraham
Check
f
or GPU
detection suppo
r
t b
e
fore d
e
tecting
commit
|
commitdiff
|
tree
2017-12-11
Mark A
b
raham
Co
n
sume
a
ny e
r
ror produced
during GPU detect
i
on
commit
|
commitdiff
|
tree
2017-12-11
Mark Abr
a
ham
Avoi
d
signed-overflow warning w
i
t
h
g
cc 7
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
Abraham
Remove SIMD shift oper
a
tors
commit
|
commitdiff
|
tree
2017-12-08
Mark
A
braham
Refine ulp tolerances for some
m
ore
e
wald test
s
commit
|
commitdiff
|
tree
2017-12-05
M
a
rk
Abraham
Fix mdrun
-
n
b
au
t
o -pme auto when G
P
Us are absent
commit
|
commitdiff
|
tree
2017-12-05
Mark Abr
a
ham
Upda
t
e testing to include cmake 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
M
a
rk Abraham
Fix f
r
e
e
_gpu
commit
|
commitdiff
|
tree
2017-12-04
M
a
rk Ab
r
aham
F
ix unused variables in CP
U
p
r
uning kernels
commit
|
commitdiff
|
tree
2017-12-04
Mark
A
brah
a
m
Me
r
ge branch re
l
e
a
se
-
2016 into releas
e
-2
0
18
commit
|
commitdiff
|
tree
2017-12-03
Mark A
b
r
ah
a
m
Fix fft
5
d
p
inning
commit
|
commitdiff
|
tree
2017-11-28
Mark Abraham
GROMACS 2018
f
i
r
st b
e
ta release
commit
|
commitdiff
|
tree
2017-11-24
Mark Abra
h
am
Update developer gui
d
e
commit
|
commitdiff
|
tree
2017-11-24
M
ark
A
braham
A
c
tiv
a
te PM
E
on GPUs
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Separate management of GPU contexts from modules
commit
|
commitdiff
|
tree
2017-11-24
Ma
r
k
Abra
h
a
m
Ad
d
PM
E
integration test
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Extend tas
k
assignment co
d
e
commit
|
commitdiff
|
tree
2017-11-21
Mark Ab
r
aham
Use much
l
ess
Pad
d
edRV
e
cVector an
d
more Arra
y
Ref of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Support pinnin
g
i
n
HostAllocator
commit
|
commitdiff
|
tree
2017-11-20
Mark Abraham
Fix nightly
m
atri
x
config
commit
|
commitdiff
|
tree
2017-11-19
Mark Abr
a
ham
Fix FindCUDA
.
cmake for -Wu
n
def
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk A
b
raha
m
U
se
H
ostAllocati
o
nPolicy for
c
hargeA
commit
|
commitdiff
|
tree
2017-11-17
Mar
k
Abr
a
ham
A
dd checki
n
g funct
i
on fo
r
whether a buf
f
e
r is
p
inned
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk
A
braha
m
Impro
v
e
handling of PME GPU force buffer
commit
|
commitdiff
|
tree
2017-11-10
Mar
k
Abraham
Import cmake Mod
u
les/Find
C
UDA
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Mark Abra
h
am
Pr
e
pared t_mdatoms
f
o
r
using vector
commit
|
commitdiff
|
tree
2017-11-09
Ma
r
k Abr
a
ham
Introduce H
o
s
tAlloca
t
ionPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Abraham
Reform gm
x
_pme_pp alloc and use vecto
r
commit
|
commitdiff
|
tree
2017-11-07
Mark
A
b
raha
m
I
n
t
r
oduce gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Test cla
n
g on ARM in nightl
y
matrix
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Abrah
a
m
Improve PME inc
l
udes
commit
|
commitdiff
|
tree
2017-11-03
Mark Abra
h
am
Merge "Merge branch
releas
e
-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mar
k
A
bra
h
am
Mer
g
e
b
ran
c
h
re
l
ease-
2
016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abr
a
h
a
m
Fi
x
thread-MPI
rank
c
hoi
c
e for orientation re
s
traints
commit
|
commitdiff
|
tree
2017-11-01
Mark Ab
r
a
ham
Improve handl
i
ng of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark Ab
r
aham
Update treatment of GPU comp
a
tibility d
a
ta struct
u
re
commit
|
commitdiff
|
tree
2017-10-30
Ma
r
k A
b
raham
F
ix and update hw_info
commit
|
commitdiff
|
tree
2017-10-27
M
a
rk Abrah
a
m
Fix
h
w
detection more
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
Make releas
e
matrix
w
o
rk again
commit
|
commitdiff
|
tree
2017-10-26
Mark Abr
a
ham
New
quot
e
commit
|
commitdiff
|
tree
2017-10-25
M
a
rk Abraham
Teach the copyright
c
h
e
cker about template
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mar
k
A
b
ra
h
am
Cla
r
ify
d
ocs for Fmax
i
n
E
M
commit
|
commitdiff
|
tree
2017-10-20
Mark A
b
r
aham
Merge
branch
rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark Abraham
Merge branch relea
s
e-201
6
commit
|
commitdiff
|
tree
2017-10-13
M
a
rk
Abraham
Update t
e
sts for C++1
1
compiler and stan
d
ard libra
r
y
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Fix cpuinf
o
o
n
c
la
n
g + non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mar
k
Abraham
Introduced h
e
ade
r
for communication to/from
PME rank
s
commit
|
commitdiff
|
tree
2017-10-11
M
a
rk Abraham
Cleaned u
p
ewaldcoeff for PME-only
r
a
n
ks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Use clan
g
-5 in Jen
k
ins
commit
|
commitdiff
|
tree
2017-10-07
Mar
k
Abraham
Tell cppc
h
eck t
h
at
.
cpp and
.
cu files are c++
commit
|
commitdiff
|
tree
2017-10-05
M
ark Abraham
C
o
ntinue removing -n
b
gpu_cp
u
commit
|
commitdiff
|
tree
2017-10-04
Mark Abrah
a
m
En
a
ble
g
roup-scheme SIMD w
i
th GMX_SIMD=AVX2
_
128
commit
|
commitdiff
|
tree
2017-10-03
Mark
A
braham
Introd
u
ce and use AlignedAllocationPolicy
commit
|
commitdiff
|
tree
2017-09-19
Mark
Abraham
Update tes
t
ing m
a
t
r
ic
e
s
to test
w
ith
(
latest) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark A
b
raham
Me
r
ge
b
ranch release-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Express inte
n
t of matrix release build types expli
c
itly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Bump
e
d patch
v
ersion for n
e
xt release
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Vers
i
on 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark
Abraham
Form taskassign
m
ent module
commit
|
commitdiff
|
tree
2017-09-14
Mark Abrah
a
m
Fix com
p
at module defini
t
io
n
commit
|
commitdiff
|
tree
2017-09-12
Mark Abra
h
a
m
Merge branch rele
a
se-
2
016
commit
|
commitdiff
|
tree
2017-09-07
Mar
k
Abraham
Introduce type-safe GPU e
m
u
lation variable
s
commit
|
commitdiff
|
tree
2017-09-07
M
a
rk
A
b
raham
Enable gro
u
p-sch
e
me SIMD
kernels on recent
AVX extension
s
commit
|
commitdiff
|
tree
2017-09-06
M
a
rk Ab
r
a
ham
P
r
epa
r
e V
e
rlet s
c
h
e
me
l
ate
r
in
r
u
nn
e
r
commit
|
commitdiff
|
tree
2017-09-05
Ma
r
k
Abr
a
ham
Fixes f
o
r Solari
s
commit
|
commitdiff
|
tree
2017-09-05
M
a
rk
Abra
h
am
F
ix u
s
e o
f
GPU information for thr
e
ad-MPI setup
commit
|
commitdiff
|
tree
2017-09-03
Ma
r
k Abraham
Fix
c
ompile
r
flag
s
for using
M
KL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Me
r
ge b
r
anch r
e
leas
e
-5-1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2017-08-25
M
a
rk Abra
h
am
Fi
x
flat
-
bottomed
p
osit
i
on
r
est
r
ain
t
s w
i
th multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
S
top
p
e
d chec
k
point infl
u
encing parallel
i
sm se
t
up
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Run
G
PU de
t
ection
ev
e
n f
o
r md
r
un -n
b
c
pu
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
F
i
xed thread-MPI
w
ith non
-
default -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fix missing declara
t
ion of GMX_
U
NUSED_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Mer
g
e branch release
-
2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Moved increase_nst
l
ist()
to nbnxn_tuni
n
g
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Fix
compi
l
a
ti
o
n issu
e
s
w
i
t
h
ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
M
ark Abra
h
am
Replace c
o
nsis
t
en
c
y checking
wi
t
h assertion
commit
|
commitdiff
|
tree
2017-08-16
Mark
Abraham
P
a
rse user-supplied
GPU t
a
sk assignment onl
y
when needed
commit
|
commitdiff
|
tree
next