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Fix check for BitScanReverse64
2020-09-28
M
a
r
k
Abraham
F
i
x check for BitScanReverse
6
4
commit
|
commitdiff
|
tree
2020-08-26
M
ark Abraha
m
Per
m
it b
u
ild
w
ith CU
D
A 11
.
0
commit
|
commitdiff
|
tree
2020-08-08
M
ark
Abraham
Fix typo in docs
commit
|
commitdiff
|
tree
2020-07-31
M
ark Abraham
Release configs were using a wrong buil
d
typ
e
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
Fix compiler flag repor
t
i
n
g
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Base
l
ine
c
o
m
mit
commit
|
commitdiff
|
tree
2020-04-25
M
ark
A
braham
M
o
ve configu
r
at
i
on
o
f
g
loba
l
headers
commit
|
commitdiff
|
tree
2020-04-23
Mark Abraham
Fix wa
r
nings for n
o
-
mpi build
commit
|
commitdiff
|
tree
2020-04-01
Ma
r
k Abra
h
a
m
Fix m
i
nor bug w
i
t
h tools
t
ime-unit
conver
s
i
o
n
s
commit
|
commitdiff
|
tree
2020-03-30
M
a
rk Abraham
Set buffers app
r
o
p
riately so
.
xpm files can be rea
d
.
commit
|
commitdiff
|
tree
2019-12-31
Mark Abra
h
am
Avoid 386 O3 codeg
e
n bug
even more
commit
|
commitdiff
|
tree
2019-12-30
Ma
r
k A
b
raham
Te
s
ts th
a
t v
e
ri
f
y serializer beh
a
viours
commit
|
commitdiff
|
tree
2019-12-30
Ma
r
k Abraham
Re
m
o
ve use of tup
l
e i
n
LINC
S
code for GPU im
p
lementation
commit
|
commitdiff
|
tree
2019-12-28
Mark Ab
r
aham
Mer
g
e "Merge o
r
i
gin/release-2019
into re
l
e
a
se-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-17
M
a
rk Abraham
Fix that tests intend
e
d
f
or multiple
ranks run
t
hat way
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraham
Simplify gmxapi RPATH han
d
ling
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraham
Do
c
u
m
ent DOMAINDEC
O
MP(cr) correctly
commit
|
commitdiff
|
tree
2019-12-10
M
a
rk Abraham
Sim
p
lify gmx
a
p
i
RP
A
T
H
h
a
ndling
commit
|
commitdiff
|
tree
2019-12-06
Mar
k
Abraham
Avoid 386 O3 codeg
e
n bug
commit
|
commitdiff
|
tree
2019-12-06
M
a
rk
Abrah
a
m
Provide more feedback when
listed forces
t
ests
fail
commit
|
commitdiff
|
tree
2019-12-04
Mark Ab
r
a
h
am
Ad
d
ed Op
e
nCL build to rel
e
as
e
m
a
t
rix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraha
m
Removed unn
e
cessary lin
k
_d
i
rector
i
es comman
d
for gtest
commit
|
commitdiff
|
tree
2019-12-01
Mark Abraham
Further improve taskassignment exce
p
tio
n
h
andling
commit
|
commitdiff
|
tree
2019-11-29
Mark Abraham
Merge branch
rele
a
se
-
2019 i
n
to re
l
ease-2020
commit
|
commitdiff
|
tree
2019-11-27
M
a
r
k Ab
r
aham
Dis
a
ble
GP
U
PME
-
PP
c
ommunicatio
n
wit
h
mdr
u
n
-
pmef
f
t cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
I
mpro
v
e handling o
f
task
-
assignme
n
t excepti
o
ns
commit
|
commitdiff
|
tree
2019-11-26
Mark A
b
raham
Re
l
ax toleran
c
e for bd t
e
sts
commit
|
commitdiff
|
tree
2019-11-21
Mar
k
Ab
r
aham
N
e
w cool quote
commit
|
commitdiff
|
tree
2019-11-20
Mark
A
braha
m
Quiet uninitialized
v
ariable warning wit
h
clang 9
commit
|
commitdiff
|
tree
2019-11-19
Ma
r
k Abraham
Up
d
ated releas
e
notes for CO
D
ATA update
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Rel
a
xed
l
is
t
ed forces test tol
e
ranc
e
s
commit
|
commitdiff
|
tree
2019-11-16
M
ark Abr
a
h
a
m
Stop t
e
sting that
h
w
l
oc
c
ac
h
e-siz
e
detection works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark
A
braham
Tests for valid
periodic actions
commit
|
commitdiff
|
tree
2019-10-13
Mark Abraham
E
n
sure environment v
a
riable us
e
does
n
ot give warni
n
gs
commit
|
commitdiff
|
tree
2019-10-07
Mark Abraham
Extend GPU tra
i
ts class
commit
|
commitdiff
|
tree
2019-10-04
Ma
r
k Abraham
Fix that test
s
inten
d
ed for m
u
ltiple ra
n
ks run that
way
commit
|
commitdiff
|
tree
2019-10-02
Mark A
b
raham
Improve PME testing
commit
|
commitdiff
|
tree
2019-10-01
M
a
rk
Abraham
Move GPU t
a
sk assignmen
t
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Fix icc warnings
commit
|
commitdiff
|
tree
2019-10-01
M
a
r
k Abraham
Removed dep
e
nd
e
ncy
o
n commrec of mdrun setup
commit
|
commitdiff
|
tree
2019-09-30
Mark Abraham
Make a
b
uilder
f
or DD
commit
|
commitdiff
|
tree
2019-09-27
Mark Abr
a
ham
Improve M
i
Mi
C
test imple
m
entation
commit
|
commitdiff
|
tree
2019-09-27
M
ar
k
Abra
h
am
S
t
o
p checking
C
UD
A
version repor
t
ed by nvcc
commit
|
commitdiff
|
tree
2019-09-27
M
a
r
k Ab
r
aham
Fi
x
gro file output with index gro
u
ps
commit
|
commitdiff
|
tree
2019-09-27
Mar
k
Abr
a
ham
Add test
s
for editc
o
nf
f
ile conve
r
sion with indexing
commit
|
commitdiff
|
tree
2019-09-27
Mar
k
Abraham
Fix gr
o
f
i
le output wit
h
index groups
commit
|
commitdiff
|
tree
2019-09-27
Mark
A
braham
Remove lef
t
over
s
uppor
t
f
or pre-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark
Abraham
Fix log
file fl
a
g output
commit
|
commitdiff
|
tree
2019-09-24
M
ark Abraham
Fix no-M
P
I CUDA build
commit
|
commitdiff
|
tree
2019-09-24
Mark Abrah
a
m
Merge "Merge branch release-2019 into master"
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Fix clang unused-function war
n
ings
commit
|
commitdiff
|
tree
2019-09-23
Mark A
b
raham
F
ixes to b
r
oken CUDA compiler flags
commit
|
commitdiff
|
tree
2019-09-23
Mar
k
A
b
ra
h
am
Fi
x
1D-1pulse support
commit
|
commitdiff
|
tree
2019-09-20
M
a
r
k Abraham
Refactor to create a Gp
u
TaskAssignments object
commit
|
commitdiff
|
tree
2019-09-19
Mar
k
A
br
a
ham
Use GPU halo exchange only
when compatible DD is
a
vailable
commit
|
commitdiff
|
tree
2019-09-19
M
ark Abra
h
am
F
urt
h
er imp
r
ove getDDGr
i
dSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark Abr
a
h
a
m
Avoid sh
o
rt-range
GPU
operation
s
w
i
th no work
commit
|
commitdiff
|
tree
2019-09-12
Mark Abraham
D
i
sable
repo
r
t-methods end-t
o
-en
d
test
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
M
a
ke gm
x
_multisim_t a C++ ob
j
ect
commit
|
commitdiff
|
tree
2019-09-11
Mar
k
Abraha
m
Fix multi-s
i
m
res
t
a
r
t han
d
lin
g
i
n
co
r
ner
c
a
ses
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
A
v
oi
d
warning in no
-
mpi buil
d
commit
|
commitdiff
|
tree
2019-09-10
Mark Abra
h
am
Use more RAI
I
sem
a
nt
i
cs with t_commrec
commit
|
commitdiff
|
tree
2019-09-06
Mark Abraham
Clean
u
p
c
o
mmrec
u
n
iformly
commit
|
commitdiff
|
tree
2019-09-05
M
ark Abraham
U
p
da
t
e mdrun tes
t
comparison infrastructure
commit
|
commitdiff
|
tree
2019-09-03
Mark Abrah
a
m
Simp
l
ify energy-file
c
omparisons in tests
commit
|
commitdiff
|
tree
2019-09-02
Mark Abraham
Move initializa
t
ion of clFFT
commit
|
commitdiff
|
tree
2019-08-30
Mark Ab
r
a
h
am
Fix bui
l
d
mat
r
ices
commit
|
commitdiff
|
tree
2019-08-29
Mar
k
Abraham
M
ore
quotes
commit
|
commitdiff
|
tree
2019-08-28
Mark Abraham
Fix inte
g
ration issues
commit
|
commitdiff
|
tree
2019-08-28
Mark Abraham
I
m
proved usa
b
il
i
ty
of
g
rompp by
reject
i
ng more i
n
valid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
Mark
A
braham
Add integration tests fo
r
exact restart
s
commit
|
commitdiff
|
tree
2019-08-26
Mark Ab
r
aham
Make FEP
rerun
t
ests cover th
e
intende
d
lambda space
commit
|
commitdiff
|
tree
2019-08-26
Mark
Abraham
Converted a CUDA config to use clang host-only compilation
commit
|
commitdiff
|
tree
2019-08-26
M
a
rk Abra
h
am
Fix p
a
irlist
bug
commit
|
commitdiff
|
tree
2019-08-23
Mark A
b
rah
a
m
Up
d
ate clan
g
-t
i
dy to clang
v
ersion 8
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Merge branch
r
e
l
ease-2019
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Impro
v
e clang-ana
l
yzer
b
u
i
ld tim
e
commit
|
commitdiff
|
tree
2019-08-22
Mark
Abraham
Fi
x
release matrix
commit
|
commitdiff
|
tree
2019-08-21
Mark Abraham
Improve organi
z
ation of LINC
S
reporting
commit
|
commitdiff
|
tree
2019-08-20
Mark Ab
r
aha
m
Ap
p
l
y
clang-tidy-8 readability-uppercase-
l
iteral-suffi
x
commit
|
commitdiff
|
tree
2019-08-20
Mark Abra
h
am
U
s
e
potential-shift as default modifier
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Redu
c
e cosine acceleration quan
t
i
t
y properly
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Fix
issues
f
or clan
g
-analyzer
-
8
commit
|
commitdiff
|
tree
2019-08-19
Mark Abraham
Mode
r
n
i
ze t_matrix, t_mapp
i
ng
,
t_rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark Abraha
m
Modernize t_psd
a
ta
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Update testing
m
atrices and fix warnings
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Move keyvaluetreewri
t
er code
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Stop nbnxm/gr
i
d
.
h depending on
S
IMD
module
commit
|
commitdiff
|
tree
2019-08-15
Mark Abra
h
am
R
emove run-time
check fro
m
calc_shifts
commit
|
commitdiff
|
tree
2019-08-14
M
a
rk
A
braha
m
Fix vv integra
t
ors
commit
|
commitdiff
|
tree
2019-08-13
Ma
r
k A
b
raham
Rem
o
ve worka
r
ound for bugg
y
cmake
commit
|
commitdiff
|
tree
2019-08-13
M
ark Abraham
F
ix
i
c
c 19 codegen is
s
ue
commit
|
commitdiff
|
tree
2019-08-12
Mark Abraham
Qu
i
et warnin
g
commit
|
commitdiff
|
tree
2019-08-12
Mark Abr
a
ham
F
ix ocl_ker
n
el
target
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraha
m
F
ix estimate of the size of a
j list
commit
|
commitdiff
|
tree
2019-08-08
Mark
A
b
raham
Initi
a
li
z
e gmx_
e
kindata_t and t_vcm
prop
e
r
l
y
commit
|
commitdiff
|
tree
2019-08-08
Mar
k
Abr
a
ham
Stop testing ICC on
W
indows
commit
|
commitdiff
|
tree
2019-08-06
Ma
r
k Abraham
Fix fo
r
MSV
C
+CU
D
A
commit
|
commitdiff
|
tree
2019-08-05
M
a
r
k Abr
a
ham
Add quot
e
commit
|
commitdiff
|
tree
2019-08-05
Mark Abraham
Remove libgromacs_generated contri
b
utions fr
o
m
F
i
ndC
U
D
A
.
.
.
commit
|
commitdiff
|
tree
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