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Fix check for BitScanReverse64
2020-09-28
Mark
A
b
raham
Fix check for B
i
tScanRevers
e
64
commit
|
commitdiff
|
tree
2020-08-26
Ma
r
k A
b
r
a
ham
P
ermit bu
i
ld with CUDA
11
.
0
commit
|
commitdiff
|
tree
2020-08-08
M
a
r
k Abraham
Fix ty
p
o in docs
commit
|
commitdiff
|
tree
2020-07-31
Mark Abraham
Rel
e
ase configs we
r
e using a wrong buil
d
type
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
Fix compiler flag reporting
commit
|
commitdiff
|
tree
2020-04-29
Mark
Ab
r
aham
Baseline commi
t
commit
|
commitdiff
|
tree
2020-04-25
Mark A
b
raham
Move co
n
fig
u
ratio
n
of
global headers
commit
|
commitdiff
|
tree
2020-04-23
Mark Abrah
a
m
Fix
w
arni
n
gs for no-mpi build
commit
|
commitdiff
|
tree
2020-04-01
M
a
r
k A
b
raham
F
ix m
i
nor b
u
g with to
o
ls time-unit
c
onversions
commit
|
commitdiff
|
tree
2020-03-30
Mark Abraham
Set
buff
e
rs
a
p
p
ropriately so
.
x
pm files ca
n
be read
.
commit
|
commitdiff
|
tree
2019-12-31
M
a
rk
Abr
a
ham
Avoid 3
8
6 O3 codegen
bug even mor
e
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Tests
t
hat verify serializer behaviours
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Remove use of tuple in LINCS code for GPU i
m
plementation
commit
|
commitdiff
|
tree
2019-12-28
Mar
k
Abrah
a
m
Me
r
g
e
"
M
e
r
ge origin/
r
elease-2019 into re
l
eas
e
-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-17
Ma
r
k Abraham
Fix that tests intended fo
r
multiple r
a
nks run that
w
ay
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraha
m
Simplify gmxapi
R
PAT
H
han
d
lin
g
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraham
Docum
e
nt DO
M
AINDECO
M
P(cr) correctly
commit
|
commitdiff
|
tree
2019-12-10
Mark
A
b
raham
Simplify gmxapi R
P
A
T
H
ha
n
dling
commit
|
commitdiff
|
tree
2019-12-06
Mark
Abraham
A
void 386 O3 code
g
en bug
commit
|
commitdiff
|
tree
2019-12-06
Mark Ab
r
aham
Pr
o
v
i
d
e more feedback
w
hen l
i
sted f
o
rces tests fa
i
l
commit
|
commitdiff
|
tree
2019-12-04
Mar
k
Ab
r
aham
Adde
d
OpenCL
b
u
i
l
d
to release matrix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
R
e
mo
v
ed un
n
ecessary link_directorie
s
co
m
man
d
for gtest
commit
|
commitdiff
|
tree
2019-12-01
Mark A
b
r
ah
a
m
F
urther improve
t
askassig
n
men
t
exception handl
i
ng
commit
|
commitdiff
|
tree
2019-11-29
Mark Abr
a
ham
Merge branch release-2019
into
r
elease
-
20
2
0
commit
|
commitdiff
|
tree
2019-11-27
Mark Abraham
Disab
l
e
GPU PM
E
-P
P
com
m
un
i
ca
t
ion with
m
drun -pmefft cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark Ab
r
aham
Imp
r
ove handlin
g
of t
a
s
k
-assignment exceptions
commit
|
commitdiff
|
tree
2019-11-26
M
a
r
k Ab
r
aham
Rela
x
tolerance for bd
t
ests
commit
|
commitdiff
|
tree
2019-11-21
M
ar
k
Abrah
a
m
N
e
w coo
l
qu
o
t
e
commit
|
commitdiff
|
tree
2019-11-20
Mark Ab
r
aham
Quiet uninitialized variabl
e
warni
n
g with c
l
a
n
g 9
commit
|
commitdiff
|
tree
2019-11-19
M
a
rk Abraham
Updated release no
t
es
f
or CODATA u
p
dat
e
commit
|
commitdiff
|
tree
2019-11-16
Mark
Abraham
Relaxed listed forces test tol
e
r
a
nces
commit
|
commitdiff
|
tree
2019-11-16
M
ar
k
Abraham
Sto
p
test
i
ng that
hwloc cache-size det
e
ction work
s
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark Abraha
m
Tests for valid periodic
a
ctions
commit
|
commitdiff
|
tree
2019-10-13
Mark
A
bra
h
am
Ensure
e
nvironment va
r
iable
u
s
e
d
oes not give warnings
commit
|
commitdiff
|
tree
2019-10-07
Mark Abraham
Exten
d
GPU
tr
a
its
class
commit
|
commitdiff
|
tree
2019-10-04
Ma
r
k Abraham
Fi
x
t
h
a
t
tests int
e
nded f
o
r mu
l
tiple ranks
r
u
n tha
t
way
commit
|
commitdiff
|
tree
2019-10-02
Mark Abraham
I
mprove P
M
E testing
commit
|
commitdiff
|
tree
2019-10-01
M
a
rk
Abraham
Move GPU task assi
g
nmen
t
commit
|
commitdiff
|
tree
2019-10-01
Mark A
b
raham
Fix icc warnings
commit
|
commitdiff
|
tree
2019-10-01
Mark Abr
a
ha
m
Remove
d
depende
n
cy on commrec of
m
drun
s
etup
commit
|
commitdiff
|
tree
2019-09-30
Ma
r
k
Abraham
Make a builder
for DD
commit
|
commitdiff
|
tree
2019-09-27
M
ar
k
Abraham
Impr
o
ve MiMiC
t
est implementa
t
i
on
commit
|
commitdiff
|
tree
2019-09-27
M
a
r
k Abr
a
ham
S
top check
i
ng
C
UDA version
reported by nvcc
commit
|
commitdiff
|
tree
2019-09-27
M
ark Abraha
m
Fi
x
gro file output with
i
nd
e
x
g
r
o
u
ps
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
Add test
s
fo
r
edit
c
o
nf fil
e
conversion w
i
th indexin
g
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraha
m
Fi
x
g
ro
f
ile
o
ut
p
ut
w
ith in
d
e
x
grou
p
s
commit
|
commitdiff
|
tree
2019-09-27
Mark
A
b
r
ah
a
m
Rem
o
v
e
l
eftover su
p
port f
o
r pr
e
-9
.
0
CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark
Abraham
Fix lo
g
file flag
o
utput
commit
|
commitdiff
|
tree
2019-09-24
Ma
r
k A
b
rah
a
m
Fix no-MPI CUDA build
commit
|
commitdiff
|
tree
2019-09-24
Mark Ab
r
aham
Merge
"Merge branch
releas
e
-2019 into
master"
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Fix cl
a
ng unuse
d
-
f
unction warn
i
n
g
s
commit
|
commitdiff
|
tree
2019-09-23
Ma
r
k Abraha
m
Fixes to broken CUDA compiler fl
a
gs
commit
|
commitdiff
|
tree
2019-09-23
M
ark Abraha
m
Fix 1D-1
p
u
l
se supp
o
rt
commit
|
commitdiff
|
tree
2019-09-20
M
ark
Abraham
Ref
a
ct
o
r to c
r
e
a
t
e
a GpuTaskAssignments
o
bject
commit
|
commitdiff
|
tree
2019-09-19
Ma
r
k
A
braham
Use GPU hal
o
exchan
g
e
o
n
ly when com
p
a
tible DD
is available
commit
|
commitdiff
|
tree
2019-09-19
Mark Abr
a
h
a
m
Fu
r
ther imp
r
ove g
e
tDDGridSetup
commit
|
commitdiff
|
tree
2019-09-16
Ma
r
k Abraham
Avoid
s
hort-range GPU operations with no work
commit
|
commitdiff
|
tree
2019-09-12
Ma
r
k Abr
a
h
a
m
Disable report-method
s
end-to-end t
e
st
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
M
ake gmx_multis
i
m_t a C++ object
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
Fix multi-sim resta
r
t
h
and
l
ing in corner cases
commit
|
commitdiff
|
tree
2019-09-10
M
a
rk Abrah
a
m
A
v
oid
warning in
no
-
mpi bui
l
d
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Use more RAII semantics
w
ith t_commrec
commit
|
commitdiff
|
tree
2019-09-06
M
a
rk Abraham
Cle
a
n up commrec uniformly
commit
|
commitdiff
|
tree
2019-09-05
Mark Abr
a
ham
Update mdrun te
s
t comparison infrastruct
u
re
commit
|
commitdiff
|
tree
2019-09-03
M
a
rk Abr
a
ham
Simplify
e
n
e
rgy-file comparisons i
n
tests
commit
|
commitdiff
|
tree
2019-09-02
Mark Abraham
Move initialization
of clF
F
T
commit
|
commitdiff
|
tree
2019-08-30
Mark Abrah
a
m
F
i
x build mat
r
i
c
es
commit
|
commitdiff
|
tree
2019-08-29
Ma
r
k
A
b
r
aham
More q
u
otes
commit
|
commitdiff
|
tree
2019-08-28
Mark
A
br
a
h
a
m
Fix i
n
tegration issues
commit
|
commitdiff
|
tree
2019-08-28
Mark
Abraham
I
mpr
o
ved u
s
ability o
f
grompp by rejecting more invalid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
Mark Abrah
a
m
Add
i
ntegratio
n
tests for exac
t
restarts
commit
|
commitdiff
|
tree
2019-08-26
Ma
r
k Abraham
Make FEP rerun t
e
st
s
cover the i
n
tended lambda space
commit
|
commitdiff
|
tree
2019-08-26
Mark A
b
r
a
h
am
Converted a CUDA config to use clang host-
o
nly
c
o
m
pi
l
ation
commit
|
commitdiff
|
tree
2019-08-26
Mark Ab
r
aham
Fix pairlist
bug
commit
|
commitdiff
|
tree
2019-08-23
Mark A
b
raham
U
pdate clang-tidy to cla
n
g version 8
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
M
e
rge branch
r
e
le
a
se-2019
commit
|
commitdiff
|
tree
2019-08-22
Mar
k
A
b
r
aham
Imp
r
ov
e
clang-
a
n
alyze
r
build time
commit
|
commitdiff
|
tree
2019-08-22
M
ark Abraham
Fix release matr
i
x
commit
|
commitdiff
|
tree
2019-08-21
Mark Abraham
Improve
o
rganiza
t
ion o
f
LINCS reportin
g
commit
|
commitdiff
|
tree
2019-08-20
Mark Abrah
a
m
Apply clang
-
tidy-8 read
a
bility-upperc
a
se-literal-suffix
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Use poten
t
ial-shift as defa
u
lt modifier
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Reduce cos
i
ne
a
cceleration q
u
an
t
i
ty properly
commit
|
commitdiff
|
tree
2019-08-20
Mark Abrah
a
m
Fix is
s
ues
f
o
r clang
-
analyzer-8
commit
|
commitdiff
|
tree
2019-08-19
Mark
Abraham
Moderni
z
e
t_matri
x
, t_mapp
i
ng, t_rg
b
commit
|
commitdiff
|
tree
2019-08-19
Ma
r
k
A
braham
M
o
dern
i
ze t_psdata
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Upd
a
te testing matrices
an
d
fi
x
warnings
commit
|
commitdiff
|
tree
2019-08-16
Mark Ab
r
ah
a
m
Move k
e
yvaluetreewrite
r
code
commit
|
commitdiff
|
tree
2019-08-16
Mark
Abraham
Stop
nbnxm/grid
.
h
d
ependin
g
o
n
S
I
MD module
commit
|
commitdiff
|
tree
2019-08-15
Mar
k
Abraham
Remove run-time check from calc_
s
hifts
commit
|
commitdiff
|
tree
2019-08-14
Mark Abraham
Fix vv integrators
commit
|
commitdiff
|
tree
2019-08-13
Mark
Abrah
a
m
Remove workaround f
o
r buggy
c
m
ake
commit
|
commitdiff
|
tree
2019-08-13
Mark Abr
a
ham
Fix icc 19 c
o
degen
i
ssue
commit
|
commitdiff
|
tree
2019-08-12
Ma
r
k Ab
r
aham
Quiet war
n
ing
commit
|
commitdiff
|
tree
2019-08-12
Mark Abra
h
am
F
ix oc
l
_kernel t
a
rget
commit
|
commitdiff
|
tree
2019-08-08
Ma
r
k Abraham
Fix estimate of the siz
e
of a
j
list
commit
|
commitdiff
|
tree
2019-08-08
M
a
rk Abr
a
ham
Init
i
alize gmx_ek
i
ndata_
t
and t_vcm properly
commit
|
commitdiff
|
tree
2019-08-08
Mark Abra
h
am
Stop testing ICC on Windows
commit
|
commitdiff
|
tree
2019-08-06
Mark
A
bra
h
am
Fix for
MSVC+CUDA
commit
|
commitdiff
|
tree
2019-08-05
Mark Abraham
Add quote
commit
|
commitdiff
|
tree
2019-08-05
M
ark Abraham
Remove libgromac
s
_generated contributi
o
ns from FindCUDA
.
.
.
commit
|
commitdiff
|
tree
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