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Fix string interpolation error
2020-10-14
Mark Abrah
a
m
F
ix string
interpolation e
r
ror
commit
|
commitdiff
|
tree
2020-10-14
M
a
rk Abraham
Fix b
o
nded
t
ests
commit
|
commitdiff
|
tree
2020-10-07
Mark A
b
raham
U
p
d
a
te
t
o
oneAPI b
e
ta0
9
commit
|
commitdiff
|
tree
2020-10-02
Mark Abraham
Cleaned up CUDA compil
a
t
ion
commit
|
commitdiff
|
tree
2020-10-02
Mark Abr
a
ham
Update GoogleTest to v1
.
8
.
1
commit
|
commitdiff
|
tree
2020-09-30
Mark
Abraham
Fix
w
arnings issue
d
by clang with
n
vc
c
commit
|
commitdiff
|
tree
2020-09-28
Mark Abraham
Fix check for BitScanRever
s
e64
commit
|
commitdiff
|
tree
2020-09-25
Mark Abraham
Ensure the modular s
i
mulato
r
runs
o
nly when it s
h
ould
commit
|
commitdiff
|
tree
2020-09-23
Mark Abraham
Report na
m
e
of missing O
p
enCL kernels
commit
|
commitdiff
|
tree
2020-09-23
Mark Ab
r
aha
m
Permit comparison of only first f
r
ames
commit
|
commitdiff
|
tree
2020-09-22
Ma
r
k
A
b
r
a
h
a
m
S
p
lit mdrun-test
commit
|
commitdiff
|
tree
2020-09-21
Mark
A
bra
h
a
m
Wrong logi
c
was u
s
ed
commit
|
commitdiff
|
tree
2020-09-16
Mark Abra
h
am
Act
i
vate AMD O
p
enCL build in
r
el
e
a
s
e matr
i
x
commit
|
commitdiff
|
tree
2020-09-12
Mark Abr
a
h
a
m
Fix GPU d
e
vi
c
e info br
o
adc
a
st with MPI
commit
|
commitdiff
|
tree
2020-08-26
M
ar
k
A
b
raham
Permit build with
CUDA 11
.
0
commit
|
commitdiff
|
tree
2020-08-17
Mark Abraha
m
A
llow sim
p
le
r
u
se of scripted contain
e
r
bui
l
ds
commit
|
commitdiff
|
tree
2020-08-17
Mark Abra
h
am
Restore use of CUDA 11
.
0 i
n
CI
commit
|
commitdiff
|
tree
2020-08-17
Mark A
b
raham
Build fewer unnecessary SIM
D
kern
e
l
s
in CI
commit
|
commitdiff
|
tree
2020-08-17
Mark
Abraham
Support one
A
PI
i
n
gitlab CI
commit
|
commitdiff
|
tree
2020-08-17
Mark Ab
r
ah
a
m
S
t
opped us
i
ng image
s
i
n biophys
i
cs
D
o
cker r
e
pository
commit
|
commitdiff
|
tree
2020-08-17
Mark Abr
a
ha
m
A
v
oid
builds
w
ith RelWithDeb
I
nfo
commit
|
commitdiff
|
tree
2020-08-17
M
ark A
b
rah
a
m
Fix isHostMemoryPinned for changes in
CUDA 11
.
0
commit
|
commitdiff
|
tree
2020-08-12
M
a
rk Ab
r
a
h
a
m
Revert to
CUDA 10 i
m
age for CI
commit
|
commitdiff
|
tree
2020-08-08
Mar
k
Abraham
Fix
typo
i
n
docs
commit
|
commitdiff
|
tree
2020-08-07
Ma
r
k Abraham
Fix release b
u
ild w
a
rn
i
ng
commit
|
commitdiff
|
tree
2020-08-06
Mark
Abraha
m
Ke
e
p al
l
the
infra and
t
he
user happ
y
commit
|
commitdiff
|
tree
2020-08-06
Ma
r
k Abraham
Update minimum tested CU
D
A to
1
1
.
0
commit
|
commitdiff
|
tree
2020-07-31
M
a
rk
A
b
r
aham
Move code to pre
p
are for multisim class
commit
|
commitdiff
|
tree
2020-07-31
Mark Abraham
Release con
f
igs were
u
s
i
ng a wron
g
build
type
commit
|
commitdiff
|
tree
2020-07-31
M
a
rk Abraham
Release
configs were using a wrong build type
commit
|
commitdiff
|
tree
2020-07-27
Mark
Abraham
Fix warn
i
ngs in rele
a
se bu
i
lds
commit
|
commitdiff
|
tree
2020-07-27
Mark Abraham
F
i
x
R
DTSCP handling
commit
|
commitdiff
|
tree
2020-07-15
M
a
rk Abr
a
ha
m
Divi
d
e default
c
o
mmunicator fr
o
m DD commu
n
i
cators
commit
|
commitdiff
|
tree
2020-07-08
Ma
r
k Abraham
Fix issues found with clang-ti
d
y
commit
|
commitdiff
|
tree
2020-06-25
Mark
A
braham
R
estored th
e
co
m
ment
commit
|
commitdiff
|
tree
2020-06-23
Mark Abrah
a
m
WIP:
Finish
remo
v
ing compile_cp
p
_as_cuda
commit
|
commitdiff
|
tree
2020-06-01
Ma
r
k
Abraham
F
i
x atomics configure test
commit
|
commitdiff
|
tree
2020-05-29
Mark Abr
a
ham
Make Cygwin
build
w
o
r
k
commit
|
commitdiff
|
tree
2020-04-30
Mark
A
b
raham
Remove bundled
F
in
d
CUDA
.
c
make
commit
|
commitdiff
|
tree
2020-04-30
Ma
r
k Ab
r
ah
a
m
F
ix compiler flag reporting
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Update cmake version for docs con
t
ainer
commit
|
commitdiff
|
tree
2020-04-29
Ma
r
k Abr
a
ham
Base
l
ine com
m
it
commit
|
commitdiff
|
tree
2020-04-29
Mar
k
A
braham
Fixed several clang-tidy issue
s
commit
|
commitdiff
|
tree
2020-04-27
Mark Abraham
I
mprove
d
some logic in do_for
c
e
commit
|
commitdiff
|
tree
2020-04-25
M
a
r
k
A
b
raham
M
o
ve configura
t
ion o
f
global headers
commit
|
commitdiff
|
tree
2020-04-23
M
a
rk
A
braham
Mark HWLOC cmake
cache v
a
ria
b
le as adva
n
ced
commit
|
commitdiff
|
tree
2020-04-23
Ma
r
k
Abra
h
am
Fix warnings for no-mpi buil
d
commit
|
commitdiff
|
tree
2020-04-21
M
a
rk A
b
raham
Fix
w
arnings
with clang 9
commit
|
commitdiff
|
tree
2020-04-16
M
ark
Abra
h
am
Introduce GMX
_
USE_
S
IMD_KERNELS cm
a
k
e
op
t
ion
commit
|
commitdiff
|
tree
2020-04-14
Mark Abr
a
ham
Fix more clang
w
arni
n
gs
commit
|
commitdiff
|
tree
2020-04-13
Mark Abraham
Fix warnings for no-mp
i
build
commit
|
commitdiff
|
tree
2020-04-12
Ma
r
k
Abraham
Removed unused variable in for
c
e table generat
i
on
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
Finish removing
E
NCAD shifts and table generation
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
U
p
date to clang-ti
d
y-9
commit
|
commitdiff
|
tree
2020-04-08
Mark
Abraham
Fixes for clang-
t
idy-9
commit
|
commitdiff
|
tree
2020-04-07
Mark Abraham
Replace Enu
m
Option with Enumerat
i
onArrayOption
commit
|
commitdiff
|
tree
2020-04-01
Mark Ab
r
aham
Fix minor bug with
t
ools time-unit
con
v
e
rsions
commit
|
commitdiff
|
tree
2020-03-30
Mark Abraham
S
et buffers ap
p
r
o
p
ria
t
e
ly so
.
xpm files c
a
n be read
.
commit
|
commitdiff
|
tree
2020-03-18
Mar
k
Ab
r
aham
Fix unused
variable i
n
PME OpenCL kernel
commit
|
commitdiff
|
tree
2020-03-18
Mar
k
Abraham
S
i
mplify PME GPU constants
commit
|
commitdiff
|
tree
2020-03-14
Mark Abraha
m
M
ove testi
n
g code
t
o
t
e
s
t
d
irectory
commit
|
commitdiff
|
tree
2020-03-13
Mark Abraha
m
Require padded atom data for PM
E
GPU
commit
|
commitdiff
|
tree
2020-03-09
Mark Abraham
Consolidate PME
G
P
U
spline infrastructure
commit
|
commitdiff
|
tree
2020-03-06
Mark Abrah
a
m
Simplify co
m
p
iling GPU code for
t
e
sts
commit
|
commitdiff
|
tree
2020-03-05
M
a
rk Abraham
Sim
p
lify PME step workloa
d
management
commit
|
commitdiff
|
tree
2020-03-04
Mark Abr
a
ham
I
mprove TPI
handling
commit
|
commitdiff
|
tree
2020-02-23
Mark
A
b
r
aha
m
Removed
unused PME gather functiona
l
ity
commit
|
commitdiff
|
tree
2020-02-18
Mark Abraham
A
dded more do
c
s a
n
d test
s
t
o
EnumerationArray
commit
|
commitdiff
|
tree
2020-01-27
M
ar
k
Abraham
Update some n
b
nxm
ke
r
nel c
o
nstant
s
to c
o
nstexpr
commit
|
commitdiff
|
tree
2020-01-27
Mark
A
b
r
a
h
am
Remove elemen
t
-size member f
i
elds
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Make NbnxnGpu cl
a
s
s
w
ith con
s
truc
t
or
commit
|
commitdiff
|
tree
2020-01-17
Mark Abraham
Regulariz
e
nbnxm module doxygen
commit
|
commitdiff
|
tree
2020-01-16
Mark Abraham
Make
n
bnxm headers
more
s
elf-contained
commit
|
commitdiff
|
tree
2020-01-09
M
ark Abraham
Clean u
p
ewald modul
e
internals
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Split lines with many copyright years
commit
|
commitdiff
|
tree
2019-12-31
Mark Abra
h
am
A
voi
d
386 O3 codeg
e
n
bug
even mor
e
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Tests
t
hat ve
r
i
fy serializer behavi
o
u
rs
commit
|
commitdiff
|
tree
2019-12-30
Ma
r
k A
b
raham
Remove use of
tuple in LINCS code for GP
U
im
p
l
e
menta
t
ion
commit
|
commitdiff
|
tree
2019-12-28
Mark
A
br
a
ham
Remove GMX_CYCLECOUNTERS
commit
|
commitdiff
|
tree
2019-12-28
Mark
Abraham
Merge "Merge origin/relea
s
e
-
201
9
i
n
to release-20
2
0
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark
A
br
a
ham
Remov
e
support for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
M
ark A
b
raham
St
o
p testing ARMv7
commit
|
commitdiff
|
tree
2019-12-17
Mark
A
bra
h
am
Fix that
tests
i
n
tended for multiple ranks ru
n
that wa
y
commit
|
commitdiff
|
tree
2019-12-14
M
ark Abraham
Sim
p
lify gmxapi
R
PATH handling
commit
|
commitdiff
|
tree
2019-12-12
M
ark
Abraham
M
e
rg
e
"Merg
e
br
a
nch
'
or
i
gin/release-2020' into master"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraham
Do
c
ume
n
t
DOMAINDECOMP
(
cr) corr
e
ctly
commit
|
commitdiff
|
tree
2019-12-10
Mark Ab
r
aham
Simplif
y
gmxapi R
P
A
T
H
handling
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
A
void 386 O3 codegen
bug
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
P
r
ovide more feedbac
k
when
listed forces
tests fa
i
l
commit
|
commitdiff
|
tree
2019-12-04
Mark A
b
raham
Ad
d
ed Ope
n
CL build to release matrix
commit
|
commitdiff
|
tree
2019-12-04
M
a
rk Abr
a
ham
Removed unnecessar
y
link_
d
irectori
e
s c
o
mmand for g
t
est
commit
|
commitdiff
|
tree
2019-12-01
Mark Abra
h
a
m
Furt
h
er improve task
a
s
signment exception handling
commit
|
commitdiff
|
tree
2019-11-29
M
a
r
k
Abraham
Merge branch
r
e
lease-
2
019
i
n
to release-2
0
20
commit
|
commitdiff
|
tree
2019-11-27
Mark
A
braham
Disable GPU PME-PP
communication with
m
d
r
un -pmefft c
p
u
commit
|
commitdiff
|
tree
2019-11-26
Mar
k
Abraham
I
m
pro
v
e
handling o
f
task-assignment exce
p
tions
commit
|
commitdiff
|
tree
2019-11-26
Mar
k
Ab
r
a
h
am
Relax to
l
eran
c
e
f
or
b
d te
s
ts
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraham
Me
r
g
e branch release-2020
commit
|
commitdiff
|
tree
2019-11-21
Mark A
b
raha
m
Ne
w
cool quo
t
e
commit
|
commitdiff
|
tree
2019-11-20
M
a
rk
A
braham
Quiet uninitial
i
z
e
d vari
a
b
l
e w
a
rning with clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abrah
a
m
U
p
date
d
release n
o
tes
for
C
ODAT
A
update
commit
|
commitdiff
|
tree
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