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
Support pinning in HostAllocator
2017-11-21
Mark Abraham
Support pinning
i
n
HostAlloca
t
or
commit
|
commitdiff
|
tree
2017-11-20
Mark
Abrah
a
m
Fix nightly matri
x
config
commit
|
commitdiff
|
tree
2017-11-19
Mark
A
b
raha
m
Fix Find
C
U
DA
.
cmake for
-
Wundef
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Use HostA
l
l
ocation
P
olic
y
for
c
hargeA
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Add
c
hecking function
for whe
t
her a buff
e
r is pinned
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Imp
r
ove
h
andli
n
g
o
f
PME GPU f
o
rce buffer
commit
|
commitdiff
|
tree
2017-11-10
Mark Abr
a
ham
Import cm
a
ke Modules/FindCUDA
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Mark Ab
r
aham
Prep
a
re
d
t_mdatoms f
o
r using vector
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
I
n
trod
u
ce HostAllocationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Abra
h
am
Re
f
orm gmx_p
m
e_pp a
l
loc an
d
u
se vector
commit
|
commitdiff
|
tree
2017-11-07
M
ark Abrah
a
m
Introduce
gm
x
o
p
en
c
l
.
h
commit
|
commitdiff
|
tree
2017-11-07
M
ark
A
braham
Test clang on
ARM in
n
i
g
htl
y
ma
t
rix
commit
|
commitdiff
|
tree
2017-11-07
Mark Abr
a
h
a
m
Imp
r
ove PME includes
commit
|
commitdiff
|
tree
2017-11-03
Mar
k
Abrah
a
m
Merg
e
"Merge branch release-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abraham
M
e
r
g
e
br
a
nch releas
e
-2016
commit
|
commitdiff
|
tree
2017-11-01
M
ark
Abraham
Fi
x
th
r
ead-MP
I
r
ank choice for
or
i
entation restraints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Improve
h
and
l
ing of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark
A
braham
Up
d
ate
treatment of GPU compatibility data s
t
ructure
commit
|
commitdiff
|
tree
2017-10-30
Mark Abraham
Fix and
update hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
Fix
hw detection mo
r
e
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
Make re
l
eas
e
m
at
r
ix
work again
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
Ne
w
qu
o
te
commit
|
commitdiff
|
tree
2017-10-25
Mark Abraham
Teach t
h
e copyr
i
ght che
c
ker about
template
.
c
pp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abra
h
am
Clarify docs for Fmax in
EM
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraha
m
Merge
branch
r
el
e
as
e
-2
0
16
commit
|
commitdiff
|
tree
2017-10-16
Ma
r
k Abraham
M
e
rge branch release-2016
commit
|
commitdiff
|
tree
2017-10-13
M
a
rk
A
bra
h
am
Update tes
t
s for C++11
compile
r
and standard li
b
r
ary
commit
|
commitdiff
|
tree
2017-10-13
Ma
r
k Abr
a
ham
Fi
x
cpuinfo on clang + non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Int
r
oduc
e
d header for communication to/fro
m
PME ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abr
a
h
am
Cleaned up ewaldcoeff
f
o
r
PME-only rank
s
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Use clang-
5
in Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Mark Abra
h
a
m
Tel
l
cppcheck that
.
cpp and
.
cu
f
iles ar
e
c++
commit
|
commitdiff
|
tree
2017-10-05
Mark
A
bra
h
a
m
C
o
ntinue removi
n
g
-
nb gpu_
c
p
u
commit
|
commitdiff
|
tree
2017-10-04
M
ark Abrah
a
m
Enable g
r
oup-sc
h
eme SIMD w
i
t
h G
M
X_SIM
D
=
A
VX2_
1
28
commit
|
commitdiff
|
tree
2017-10-03
Mark A
b
raham
Introduce and use AlignedAllocatio
n
Policy
commit
|
commitdiff
|
tree
2017-09-19
M
ark
Abra
h
am
Update testing matrices
to tes
t
with
(
latest) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abr
a
ham
Merg
e
branc
h
release-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark Abra
h
am
E
x
p
ress inten
t
of matrix release b
u
ild types expli
c
itl
y
commit
|
commitdiff
|
tree
2017-09-15
Mark
A
b
r
aham
Bum
p
ed
patch version for next r
e
lease
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Vers
i
on 20
1
6
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark
A
braham
Form taskassig
n
ment modul
e
commit
|
commitdiff
|
tree
2017-09-14
M
ar
k
A
bra
h
am
Fi
x
c
o
mpa
t
modu
l
e definition
commit
|
commitdiff
|
tree
2017-09-12
Mark Abrah
a
m
Merge branch rel
e
ase-
2
016
commit
|
commitdiff
|
tree
2017-09-07
Mark Abra
h
am
Intr
o
duce type-safe
G
PU emulation variables
commit
|
commitdiff
|
tree
2017-09-07
M
ark Abraham
En
a
ble grou
p
-scheme S
I
MD ke
r
nels on recent AVX ext
e
nsions
commit
|
commitdiff
|
tree
2017-09-06
Mark Abrah
a
m
Prepare Verlet scheme later in r
u
nne
r
commit
|
commitdiff
|
tree
2017-09-05
M
a
r
k Abraham
Fi
x
es
f
or Solaris
commit
|
commitdiff
|
tree
2017-09-05
Mark Abr
a
h
am
Fi
x
use of GPU information for thre
a
d-MPI setup
commit
|
commitdiff
|
tree
2017-09-03
Ma
r
k Abra
h
am
Fix compiler f
l
ags for using M
K
L
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
M
e
r
ge branch release
-
5-1 into release-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark
Abra
h
am
Fix f
l
at-bottomed
p
osition restrai
n
ts with mu
l
t
i
ple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
Stopped checkpoint influencing p
a
r
all
e
lism setup
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Ru
n
GPU de
t
e
c
t
i
on even for mdr
u
n -nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mar
k
A
b
raha
m
Fixed thread-MPI with non-default -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Ab
r
aham
Fix missing
declaration of GMX_UNUS
E
D_VALU
E
commit
|
commitdiff
|
tree
2017-08-22
Mark Ab
r
aham
Mer
g
e
branch release-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraha
m
Move
d
increase_nstlist() to
n
bn
x
n_tun
i
ng
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mar
k
Abraha
m
Fi
x
compilation iss
u
e
s
with ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark Abra
h
am
Replace co
n
s
i
stency ch
e
ck
i
ng with
a
ssertion
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Parse
u
ser-sup
p
lie
d
G
P
U task assign
m
e
n
t only
w
hen
n
e
e
ded
commit
|
commitdiff
|
tree
2017-08-16
Ma
r
k Abraham
Rem
o
ve d
u
p
l
ica
t
e
G
PU non-usag
e
hint
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Move
d
logging functiona
l
it
y
into GPU u
s
ag
e
report
commit
|
commitdiff
|
tree
2017-08-15
Mar
k
Abraham
Merge branch release-5-1 into rel
e
ase-2
0
16
commit
|
commitdiff
|
tree
2017-08-15
Mark Abrah
a
m
Fix value of Ewald shift
commit
|
commitdiff
|
tree
2017-08-10
Mark Abraham
Clarify data flow in G
P
U task assignme
n
t
commit
|
commitdiff
|
tree
2017-08-07
Mark
A
braham
F
i
x include dependency
f
o
r
getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark Abr
a
ham
S
i
mplified
h
andling o
f
G
PU
d
evice IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark Abr
a
ham
Simplify resource-division efficiency check
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Split
p
rinthardwa
r
e from d
e
tecthardware
commit
|
commitdiff
|
tree
2017-08-06
M
a
r
k A
b
raham
Decouple tas
k
assignment from task ex
e
c
ut
i
on
commit
|
commitdiff
|
tree
2017-08-06
Mark
Abr
a
ham
Removed unu
s
ed host-
s
ide allocat
i
on code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abrah
a
m
Stop using hwinfo_g for reportin
g
code
commit
|
commitdiff
|
tree
2017-08-03
M
ark Abraham
Removed u
n
used include st
a
tem
e
nts
commit
|
commitdiff
|
tree
2017-08-01
Mark Ab
r
aham
Introdu
c
ed
M
d
runner high-leve
l
class
commit
|
commitdiff
|
tree
2017-07-27
Mark
A
b
raham
Enhan
c
e
c
make
a
nd releng handling of GMX_USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
S
e
pa
r
ated responsibility for consistency
c
hecking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abra
h
am
Remove unne
c
essary GPU check
i
ng
code
commit
|
commitdiff
|
tree
2017-07-20
Mark Abra
h
am
Clean
e
d up bUseGpu in runner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abrah
a
m
Stop dupli
c
ate printing of detected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Fix use of GMX_SIMD in own-fft
w
build
commit
|
commitdiff
|
tree
2017-07-19
Mark Abrah
a
m
M
a
de post-submit config to test clang+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Imp
r
ove
CMake impleme
n
tation for GM
X
_SIMD
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Convert
e
d some cons
t
pointers
int
o
co
n
st reference
s
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Elimi
n
ated pick
_
nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
I
mplemented grompp -
p
o for options-style md
p
handling
commit
|
commitdiff
|
tree
2017-07-14
Mark Ab
r
aham
Clean
up cmake bui
l
d host detection
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
C
le
a
n up g
m
x_mdrun()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Cleaned up mdrun
n
er_
s
tart_threads
commit
|
commitdiff
|
tree
2017-07-13
Mark Abrah
a
m
Mor
e
updates to testin
g
ma
t
rix
commit
|
commitdiff
|
tree
2017-07-07
M
a
r
k
Abraham
Refactor error handl
i
ng i
n
init
_
gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark Abraham
Simplify gmx_gpu_opt_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraha
m
Clean up
p
ick_nbnxn_reso
u
rces
commit
|
commitdiff
|
tree
2017-07-01
M
ark
Abraham
Cleaned up GPU emula
t
i
on logic
commit
|
commitdiff
|
tree
2017-06-28
Mark A
b
raham
Clea
n
ed u
p
h
i
gh-level bool
e
an va
r
iable naming
commit
|
commitdiff
|
tree
2017-06-28
Mark Abra
h
am
Fix specification for gcc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Merge
b
ranch rel
e
ase-201
6
commit
|
commitdiff
|
tree
2017-06-27
M
a
rk Ab
r
aham
Mino
r
improv
e
men
t
s
t
o te
s
t configs
commit
|
commitdiff
|
tree
2017-06-22
Mar
k
Abraha
m
Co
n
solidat
e
d l
o
gic
f
or choos
i
ng numbe
r
of thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
M
a
rk Abraham
Replace misnamed nb
n
xn_gpu_
a
cc
e
leration_s
u
pported
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidat
e
an
d
fix logic for mdrun -nb and -gpuid
commit
|
commitdiff
|
tree
next