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Modernize naming in GPU buffer ops kernels
2019-10-31
Mark
Abra
h
am
Tests f
o
r valid periodic
actio
n
s
commit
|
commitdiff
|
tree
2019-10-13
Mark Abraham
Ensure envi
r
onmen
t
variabl
e
u
se does not give
warnings
commit
|
commitdiff
|
tree
2019-10-07
Mark
A
b
raham
E
xtend GPU
t
r
aits class
commit
|
commitdiff
|
tree
2019-10-04
Mark
Abraham
Fix t
h
at tests intended for
m
u
l
tiple
ranks run th
a
t way
commit
|
commitdiff
|
tree
2019-10-02
Mark Abraham
Impro
v
e PME t
e
s
t
i
ng
commit
|
commitdiff
|
tree
2019-10-01
Mark
Abr
a
ham
Move GP
U
task assignme
n
t
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
F
i
x icc
w
arnings
commit
|
commitdiff
|
tree
2019-10-01
M
ark Abraham
Removed dependenc
y
on commre
c
of md
r
un
s
et
u
p
commit
|
commitdiff
|
tree
2019-09-30
Mark Abraham
Mak
e
a builder for DD
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
I
m
p
r
ove MiMiC test implementation
commit
|
commitdiff
|
tree
2019-09-27
Mark A
b
raham
Stop checking CUDA vers
i
o
n
reported
b
y nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fix gro file output wi
t
h
ind
e
x groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abr
a
ham
Add tests for edit
c
onf file conver
s
i
on w
i
t
h indexing
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraha
m
Fix
g
r
o
file output with index groups
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k Abrah
a
m
Re
m
ove leftover
s
uppo
r
t for pre
-
9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark
Abraham
F
i
x log file flag o
u
tput
commit
|
commitdiff
|
tree
2019-09-24
Mark Abrah
a
m
Fi
x
no-MPI CUD
A
b
uild
commit
|
commitdiff
|
tree
2019-09-24
M
a
rk A
b
raham
M
erge
"
M
erge
branch rele
a
se-2
0
19
i
nto master
"
commit
|
commitdiff
|
tree
2019-09-24
Mark Ab
r
a
ha
m
Fix clang unused-function
w
arnings
commit
|
commitdiff
|
tree
2019-09-23
Mark
A
braham
F
i
xe
s
to broken CUDA c
o
mp
i
ler flags
commit
|
commitdiff
|
tree
2019-09-23
Mark
Abraham
Fix 1D-1
p
ulse
suppo
r
t
commit
|
commitdiff
|
tree
2019-09-20
Ma
r
k Ab
r
aham
R
e
fact
o
r to creat
e
a GpuTaskAssignments o
b
j
e
c
t
commit
|
commitdiff
|
tree
2019-09-19
M
a
r
k Ab
r
aham
Use GPU halo exchange only when compatible
D
D is avai
l
able
commit
|
commitdiff
|
tree
2019-09-19
Mar
k
A
b
raham
Fu
r
t
h
er imp
r
ove getDDGr
i
dSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark Abra
h
am
Avoid
sh
o
rt-
r
ange GPU o
p
eratio
n
s with no
work
commit
|
commitdiff
|
tree
2019-09-12
Mark
A
bra
h
am
Disable
r
eport-metho
d
s end
-
to-end
t
est
commit
|
commitdiff
|
tree
2019-09-11
Ma
r
k Abraham
Make gmx_multisim_t a C++ o
b
ject
commit
|
commitdiff
|
tree
2019-09-11
Mark
A
braham
Fi
x
mu
l
t
i
-sim
r
e
s
tart
handling in corner cases
commit
|
commitdiff
|
tree
2019-09-10
Mark
A
br
a
h
a
m
Avoid warni
n
g in no-mpi
b
uild
commit
|
commitdiff
|
tree
2019-09-10
Ma
r
k Abraham
U
se more RAII sema
n
tics with t
_
c
ommrec
commit
|
commitdiff
|
tree
2019-09-06
M
ark Abraham
Clean up commr
e
c un
i
formly
commit
|
commitdiff
|
tree
2019-09-05
Ma
r
k Abraham
Update mdrun test comparis
o
n infrastruct
u
r
e
commit
|
commitdiff
|
tree
2019-09-03
Ma
r
k Abraham
Simpl
i
fy energy-
f
il
e
comparisons
i
n te
s
ts
commit
|
commitdiff
|
tree
2019-09-02
Mark A
b
raham
Move
i
n
itialization
of clFFT
commit
|
commitdiff
|
tree
2019-08-30
Mark Abraham
F
i
x
build
m
atrice
s
commit
|
commitdiff
|
tree
2019-08-29
Mark
A
brah
a
m
More quote
s
commit
|
commitdiff
|
tree
2019-08-28
Mark Abraham
Fix
i
nt
e
grati
o
n
issues
commit
|
commitdiff
|
tree
2019-08-28
Mark Abrah
a
m
I
m
proved us
a
bili
t
y of grompp by re
j
ecting more invalid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
M
a
rk A
b
raham
Add
integration tests for exact res
t
arts
commit
|
commitdiff
|
tree
2019-08-26
Mark Ab
r
aha
m
Mak
e
FEP
r
erun
t
ests cover the intended
lambda s
p
ace
commit
|
commitdiff
|
tree
2019-08-26
Mark
A
brah
a
m
Con
v
ert
e
d
a CUDA co
n
fig to
u
se clan
g
host-onl
y
c
ompilat
i
on
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
F
ix pairlist bug
commit
|
commitdiff
|
tree
2019-08-23
Mark
Abraham
Updat
e
clang-tid
y
to clang
version 8
commit
|
commitdiff
|
tree
2019-08-22
M
a
rk Abraham
Merge branch re
l
e
a
se-2019
commit
|
commitdiff
|
tree
2019-08-22
Mar
k
A
b
ra
h
am
Improve clang
-
a
nalyzer b
u
ild time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
F
i
x
release matrix
commit
|
commitdiff
|
tree
2019-08-21
M
ark Abraham
Impr
o
ve
o
rgani
z
ation of
L
INCS r
e
porting
commit
|
commitdiff
|
tree
2019-08-20
Mark Abrah
a
m
Ap
p
ly cla
n
g-
t
idy-8 readability-uppercase-literal-su
f
f
i
x
commit
|
commitdiff
|
tree
2019-08-20
Mar
k
Abraha
m
Use potential-s
h
ift as default mod
i
fier
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Redu
c
e cosine
accele
r
ation
quantit
y
p
roperly
commit
|
commitdiff
|
tree
2019-08-20
Mark
A
b
raham
Fix
issues for
c
lang-
a
nalyzer-8
commit
|
commitdiff
|
tree
2019-08-19
Mark
A
br
a
ham
Moder
n
ize
t_ma
t
rix, t_mapping, t_rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark Abraham
Modernize t_psd
a
ta
commit
|
commitdiff
|
tree
2019-08-16
Mark A
b
r
a
ham
Update testing matrices an
d
fix warn
i
ngs
commit
|
commitdiff
|
tree
2019-08-16
M
ar
k
Abraham
M
o
ve
k
eyv
a
luetr
e
ewrit
e
r code
commit
|
commitdiff
|
tree
2019-08-16
M
a
r
k
Abraha
m
Stop nbnxm/g
r
id
.
h
d
epending on SIMD module
commit
|
commitdiff
|
tree
2019-08-15
M
ark Abraham
R
e
m
ove run-
t
ime check from c
a
lc_shifts
commit
|
commitdiff
|
tree
2019-08-14
Mark A
b
r
aham
Fix
v
v integrators
commit
|
commitdiff
|
tree
2019-08-13
Mark Abraham
Remove
w
orkaround for
bugg
y
c
make
commit
|
commitdiff
|
tree
2019-08-13
Mar
k
Abraham
Fi
x
i
cc 19 codegen
iss
u
e
commit
|
commitdiff
|
tree
2019-08-12
Mark Ab
r
aham
Quiet warning
commit
|
commitdiff
|
tree
2019-08-12
Mark Abraham
Fix ocl_kernel target
commit
|
commitdiff
|
tree
2019-08-08
Ma
r
k Abr
a
ha
m
Fix estimate of
t
he size of
a j list
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
Initialize gmx_ekindata_t
a
nd t_vcm properly
commit
|
commitdiff
|
tree
2019-08-08
M
a
rk Abra
h
am
Stop testing ICC on W
i
n
dows
commit
|
commitdiff
|
tree
2019-08-06
Mark Abr
a
h
a
m
Fix for M
S
VC+CUDA
commit
|
commitdiff
|
tree
2019-08-05
Mark Abraham
Add quote
commit
|
commitdiff
|
tree
2019-08-05
Mar
k
Abr
a
h
am
Remove libgromacs
_
genera
t
ed contributions f
r
om FindCUDA
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark Abraham
Manage co
m
p
i
ler flags and som
e
in
c
lude
options per
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark Abraham
Improve use
of
object librari
e
s in
libgromacs
commit
|
commitdiff
|
tree
2019-08-01
Mark Abrah
a
m
Merge "Merge
r
e
l
e
a
se-2019 into
mast
e
r"
commit
|
commitdiff
|
tree
2019-07-24
M
a
rk
Abraham
Re
m
ove tests of
make_unique
commit
|
commitdiff
|
tree
2019-07-23
Mark Abraham
Upd
a
te developer guide
commit
|
commitdiff
|
tree
2019-07-16
Mark Abraham
Add gpubufferops
t
est matrix
commit
|
commitdiff
|
tree
2019-07-11
Mark A
b
ra
h
am
Fi
x
pre-submit
b
u
i
ld m
a
trix and descrip
t
ion
commit
|
commitdiff
|
tree
2019-07-08
Mark
Abr
a
ham
F
i
x hw
l
oc and sph
i
nx detection
commit
|
commitdiff
|
tree
2019-07-08
Mark Abraham
Test sp
e
cific hwloc versions
commit
|
commitdiff
|
tree
2019-07-05
M
ark Abraham
I
m
pr
o
ve tes
t
s
of in
d
ex block
c
onstruction
commit
|
commitdiff
|
tree
2019-07-05
Mark Abraham
Mode
r
niz
e
FindHwloc
.
cmake
commit
|
commitdiff
|
tree
2019-07-04
Mark Abr
a
ham
Further clang-ti
d
y-7 fix
commit
|
commitdiff
|
tree
2019-07-04
Mark A
b
ra
h
a
m
Fix
clang-tidy-7 issues
commit
|
commitdiff
|
tree
2019-07-03
Mark Abrah
a
m
Reorder option
s
commit
|
commitdiff
|
tree
2019-07-02
Mark Abraham
Clarify wo
r
ding of release no
t
es
commit
|
commitdiff
|
tree
2019-06-18
Mark Abrah
a
m
Mo
v
e
code ha
n
dling mdrun -gpu_id to ta
s
kass
i
g
n
m
ent
.
.
.
commit
|
commitdiff
|
tree
2019-06-12
M
ark Ab
r
ah
a
m
Fi
x
pygments detection for sphinx f
o
r docs build
commit
|
commitdiff
|
tree
2019-06-11
Mark
A
braham
Use RAII
appr
o
aches for
ha
r
dwar
e
information detection
commit
|
commitdiff
|
tree
2019-06-11
Mark Abraham
Clea
n
up multisim, communication,
a
nd REMD
c
ode
commit
|
commitdiff
|
tree
2019-06-11
Mark Abraham
Initiali
z
e all of gmx
_
do
m
de
c
_c
o
mm_t
commit
|
commitdiff
|
tree
2019-05-24
Mark A
b
raham
Reorder
c
ode bef
o
re
thread-MPI spa
w
ns
thre
a
d
s
commit
|
commitdiff
|
tree
2019-05-23
Mark Abr
a
ham
Teach
A
rray
R
efWithPadding to make a co
n
st flavour
commit
|
commitdiff
|
tree
2019-05-23
Mar
k
A
brah
a
m
Revert "F
i
xed dvdlambda
f
o
r
SHAKE + FE
"
commit
|
commitdiff
|
tree
2019-05-22
Mark Ab
r
aham
Rewrite start
i
ng beha
v
i
o
r
commit
|
commitdiff
|
tree
2019-05-22
Mark
A
br
a
ham
I
n
troduc
e
t
r
i-state enums for restarts
commit
|
commitdiff
|
tree
2019-05-22
Mark A
b
ra
h
am
M
o
v
e
functiona
l
ity to mdru
n
utility
commit
|
commitdiff
|
tree
2019-05-20
Mar
k
Abr
a
ham
Fix equation typo
commit
|
commitdiff
|
tree
2019-05-14
Mark Abraham
Update infrast
r
u
c
ture needed for restart rew
r
ite
commit
|
commitdiff
|
tree
2019-05-08
Mark
Abraham
Provi
d
e hook f
o
r fork
s
of
G
ROMACS to describe
t
hemselves
commit
|
commitdiff
|
tree
2019-05-07
Mark Abraha
m
Provide bette
r
help for using libc++
commit
|
commitdiff
|
tree
2019-05-07
Ma
r
k A
b
raham
Ad
d
an example of us
i
ng an
M
PI wrap
p
er compiler
commit
|
commitdiff
|
tree
2019-05-06
Mark Abraham
I
m
prove how m
d
run -no
a
ppend
n
a
m
es o
u
tput files
commit
|
commitdiff
|
tree
next