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Stop checking CUDA version reported by nvcc
2019-09-27
Mark Ab
r
ah
a
m
Sto
p
checking CUDA version reported
b
y n
v
cc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
Fix gro
file
output
w
ith ind
e
x
groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Add
test
s
for
e
ditconf fi
l
e conv
e
rsion with ind
e
xi
n
g
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Remove lefto
v
er support for pre-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mar
k
Abraham
Fix log file
f
lag
o
u
tput
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Fix
n
o-MPI C
U
DA build
commit
|
commitdiff
|
tree
2019-09-24
Mark
A
brah
a
m
Merge
"Merge
b
r
anch relea
s
e-20
1
9 into
m
aster"
commit
|
commitdiff
|
tree
2019-09-24
Mark
Abra
h
am
Fix
c
lang unused-funct
i
on warnings
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
F
ixes to broken CUDA co
m
piler flags
commit
|
commitdiff
|
tree
2019-09-23
M
a
rk
A
braham
Fix 1D-1pulse support
commit
|
commitdiff
|
tree
2019-09-20
Mark Ab
r
aham
Refac
t
or to
c
reate
a G
p
uT
a
skA
s
signments object
commit
|
commitdiff
|
tree
2019-09-19
Mark Abraham
Use
G
PU halo e
x
c
h
ange o
n
ly when c
o
mp
a
tible DD is availab
l
e
commit
|
commitdiff
|
tree
2019-09-19
Mark Abraham
F
u
r
t
he
r
improve
ge
t
DDG
r
idSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark Abrah
a
m
Avoid short-range GPU o
p
erations with no work
commit
|
commitdiff
|
tree
2019-09-12
Mark Abr
a
ham
D
i
sable
r
eport-metho
d
s end-to-end test
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
Make
gmx_multisim_t a C++ object
commit
|
commitdiff
|
tree
2019-09-11
Ma
r
k Abraham
Fix m
u
l
ti-s
i
m restart
handl
i
n
g
in c
o
r
n
e
r cases
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Avoid warning
i
n no-m
p
i build
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
U
s
e
more RAII semantics w
i
t
h
t
_com
m
rec
commit
|
commitdiff
|
tree
2019-09-06
Mark Abraham
Clean up commrec un
i
f
ormly
commit
|
commitdiff
|
tree
2019-09-05
Mark
Abra
h
am
Updat
e
m
dr
u
n
test compa
r
ison
i
nfrastructure
commit
|
commitdiff
|
tree
2019-09-03
Mark Ab
r
a
h
am
Simplify energ
y
-file comparisons in tests
commit
|
commitdiff
|
tree
2019-09-02
Ma
r
k A
b
r
aham
Move initialization of clFFT
commit
|
commitdiff
|
tree
2019-08-30
M
a
rk Abraham
F
ix
build matrices
commit
|
commitdiff
|
tree
2019-08-29
Mark
A
brah
a
m
M
o
re
q
uotes
commit
|
commitdiff
|
tree
2019-08-28
Mark Abrah
a
m
Fix
i
nte
g
ration is
s
ues
commit
|
commitdiff
|
tree
2019-08-28
Mark Abr
a
ham
Impro
v
ed usabili
t
y
of grompp by r
e
jecting more
i
nv
a
lid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
M
a
rk
A
b
raham
Ad
d
integ
r
at
i
on tests for exac
t
restarts
commit
|
commitdiff
|
tree
2019-08-26
Mark Ab
r
a
ham
Ma
k
e FE
P
rerun tes
t
s c
o
ver the int
e
nde
d
la
m
bda space
commit
|
commitdiff
|
tree
2019-08-26
Mark
Abraham
Converted a CUDA config to use clan
g
h
o
st-only compila
t
ion
commit
|
commitdiff
|
tree
2019-08-26
Mark Abr
a
ham
Fix pai
r
list
b
ug
commit
|
commitdiff
|
tree
2019-08-23
Mark Abr
a
ham
Update
clang-
t
idy to clang
v
ersion 8
commit
|
commitdiff
|
tree
2019-08-22
M
a
rk Abraham
Merge branch rele
a
se-
2
019
commit
|
commitdiff
|
tree
2019-08-22
Mark
A
bra
h
am
Impr
o
ve
c
l
ang-analyzer build tim
e
commit
|
commitdiff
|
tree
2019-08-22
Mark A
b
raham
F
ix release mat
r
i
x
commit
|
commitdiff
|
tree
2019-08-21
Mark A
b
raham
Im
p
r
o
ve organization o
f
L
INCS reporting
commit
|
commitdiff
|
tree
2019-08-20
M
ark Abraham
Apply clang-
t
idy-8 readability-uppercase-literal-suffix
commit
|
commitdiff
|
tree
2019-08-20
M
a
rk Abraham
Use pot
e
n
t
ia
l
-shift a
s
default modi
f
ier
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Reduce
c
o
si
n
e acceleration quantity
properly
commit
|
commitdiff
|
tree
2019-08-20
Mark Abra
h
am
Fix issue
s
for cla
n
g-an
a
lyz
e
r-
8
commit
|
commitdiff
|
tree
2019-08-19
Mark A
b
raham
Modernize t_matrix
,
t_mapping, t_rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark Abrah
a
m
Modernize t_psdata
commit
|
commitdiff
|
tree
2019-08-16
Mark
Abraham
Upda
t
e tes
t
ing matrices and fix warnings
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
M
o
v
e keyvalue
t
reewri
t
er
code
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Stop nbnxm/grid
.
h depending
o
n SI
M
D module
commit
|
commitdiff
|
tree
2019-08-15
M
ark Abra
h
am
Rem
o
ve run-
t
ime check from
c
alc_shifts
commit
|
commitdiff
|
tree
2019-08-14
Mark
A
b
r
aham
Fix
v
v integra
t
ors
commit
|
commitdiff
|
tree
2019-08-13
Mark Abraham
Remove workarou
n
d for
b
u
g
gy cmake
commit
|
commitdiff
|
tree
2019-08-13
Ma
r
k Abraham
Fix icc
1
9
codegen i
s
sue
commit
|
commitdiff
|
tree
2019-08-12
Mark
Abra
h
am
Quie
t
w
arning
commit
|
commitdiff
|
tree
2019-08-12
Mark Abraham
Fix
o
cl_kernel target
commit
|
commitdiff
|
tree
2019-08-08
Mark Abra
h
am
Fix estim
a
te
o
f
t
h
e
size o
f
a
j
l
is
t
commit
|
commitdiff
|
tree
2019-08-08
Ma
r
k Abra
h
am
I
n
i
t
ialize
gmx_ekindata_t
a
nd t_
v
cm properly
commit
|
commitdiff
|
tree
2019-08-08
Mark A
b
raham
Stop testing I
C
C
on
Windows
commit
|
commitdiff
|
tree
2019-08-06
Ma
r
k Abra
h
a
m
Fix for
M
S
V
C+
C
UDA
commit
|
commitdiff
|
tree
2019-08-05
Mark A
b
raham
Add quote
commit
|
commitdiff
|
tree
2019-08-05
Mark
Abraham
Remove libgrom
a
cs_gen
e
rate
d
con
t
ribution
s
from
FindCUDA
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mar
k
A
b
r
aha
m
Manage compil
e
r
f
lags
and som
e
include op
t
ions per
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark Abraham
Im
p
rov
e
use of o
b
je
c
t libra
r
ies in libgromacs
commit
|
commitdiff
|
tree
2019-08-01
Mar
k
Abraham
Merge "Merge release-2019 into master"
commit
|
commitdiff
|
tree
2019-07-24
Mar
k
Abraham
Remove tests of make_uniq
u
e
commit
|
commitdiff
|
tree
2019-07-23
Mark
Abraham
Update developer guid
e
commit
|
commitdiff
|
tree
2019-07-16
Mark Abraham
A
d
d gpu
b
ufferops test matrix
commit
|
commitdiff
|
tree
2019-07-11
Mark Ab
r
aham
Fi
x
pre-submit bu
i
ld m
a
trix and description
commit
|
commitdiff
|
tree
2019-07-08
Mark Abraham
Fix hwloc
and s
p
h
i
nx detection
commit
|
commitdiff
|
tree
2019-07-08
Ma
r
k Ab
r
aham
Test specific
h
wloc versions
commit
|
commitdiff
|
tree
2019-07-05
Mark Abraham
Improve tests
of ind
e
x block con
s
truction
commit
|
commitdiff
|
tree
2019-07-05
Mark Abraham
Modernize
Fin
d
Hwloc
.
cmake
commit
|
commitdiff
|
tree
2019-07-04
Ma
r
k
Abraham
Fu
r
t
her
c
lang-t
i
dy
-
7
fix
commit
|
commitdiff
|
tree
2019-07-04
Mark Ab
r
aham
Fix clang-tidy-7
issue
s
commit
|
commitdiff
|
tree
2019-07-03
Mark Abraham
Re
o
rder optio
n
s
commit
|
commitdiff
|
tree
2019-07-02
Mark A
b
raham
Clarify wording of release notes
commit
|
commitdiff
|
tree
2019-06-18
Mark
Abraham
Move
code
handling m
d
r
u
n
-
gp
u
_id to taskas
s
ignment
.
.
.
commit
|
commitdiff
|
tree
2019-06-12
M
a
rk Abraha
m
Fix pygments detection for sphinx
f
o
r
docs build
commit
|
commitdiff
|
tree
2019-06-11
Mark Ab
r
aham
Use RAII
ap
p
r
o
aches for hardware information detection
commit
|
commitdiff
|
tree
2019-06-11
Mark Abraham
Clean up mu
l
ti
s
im, co
m
m
u
nicati
o
n, and REMD code
commit
|
commitdiff
|
tree
2019-06-11
Mark Abra
h
a
m
Initialize all o
f
g
mx_domdec_comm_t
commit
|
commitdiff
|
tree
2019-05-24
Ma
r
k Abraham
Reorder
code
befo
r
e thread-MPI
s
pawns threads
commit
|
commitdiff
|
tree
2019-05-23
Mark
A
brah
a
m
Teac
h
ArrayR
e
fW
i
thPad
d
i
ng to ma
k
e a con
s
t
flavou
r
commit
|
commitdiff
|
tree
2019-05-23
Mar
k
A
b
r
a
ha
m
R
e
ve
r
t "Fixe
d
dvdlambda for SHAKE
+
F
E"
commit
|
commitdiff
|
tree
2019-05-22
M
ark Abr
a
ham
Rewrite
s
t
arting behavior
commit
|
commitdiff
|
tree
2019-05-22
Mark Abraham
I
ntroduce tri-
s
t
a
t
e
enums fo
r
restarts
commit
|
commitdiff
|
tree
2019-05-22
M
ark
A
braha
m
Move functi
o
nal
i
ty
t
o
mdru
n
utility
commit
|
commitdiff
|
tree
2019-05-20
Mark Abraham
F
ix equ
a
tion
t
ypo
commit
|
commitdiff
|
tree
2019-05-14
Mark Abraham
Update infras
t
ructur
e
n
eede
d
for r
e
s
t
a
rt rewrite
commit
|
commitdiff
|
tree
2019-05-08
M
a
rk A
b
raham
Provide
hook for forks of GROMA
C
S
t
o
d
e
scribe themselves
commit
|
commitdiff
|
tree
2019-05-07
M
a
r
k
Abraham
P
r
o
vid
e
better help for
using libc++
commit
|
commitdiff
|
tree
2019-05-07
Mark A
b
r
a
ham
Add
an ex
a
mple o
f
usi
n
g an
M
P
I wrapper com
p
iler
commit
|
commitdiff
|
tree
2019-05-06
Mark
A
braham
Improv
e
how m
d
run
-
noap
p
end names outp
u
t fil
e
s
commit
|
commitdiff
|
tree
2019-05-03
Mark Abraham
M
o
re tes
t
s
for ho
w
mdr
u
n -cpi
restarts ha
n
dle files
commit
|
commitdiff
|
tree
2019-05-02
Mark Abraham
Enh
a
nce path
search
fu
n
c
tions
commit
|
commitdiff
|
tree
2019-04-30
Mark Abraha
m
Test
t
he output of "gmx mdrun help"
commit
|
commitdiff
|
tree
2019-04-25
Ma
r
k
A
braham
Upd
a
t
e
style
g
u
ide
about
c
lass enum
s
commit
|
commitdiff
|
tree
2019-04-23
Mark Abrah
a
m
C
l
arif
y
pushin
g
of
i
nt
e
raction types
commit
|
commitdiff
|
tree
2019-04-23
Mark Abraham
U
pdated cla
n
g -Weverything
checks
t
o
c
lan
g
-7
commit
|
commitdiff
|
tree
2019-04-18
Mark
Abr
a
ham
Cr
e
a
te
gmx:
:
co
m
p
a
t::
o
pti
o
n
al
commit
|
commitdiff
|
tree
2019-04-18
Mark Abraham
Move pul
l
w
o
rk struct out of inputrec
commit
|
commitdiff
|
tree
2019-04-18
Mark A
b
raham
Improve swapc
o
ords
s
ession lifet
i
me manag
e
ment
commit
|
commitdiff
|
tree
2019-04-17
M
a
r
k
A
br
a
ham
Fix post-sub
m
it
commit
|
commitdiff
|
tree
2019-04-16
Mark Abraham
Removed
m
d
run -
g
c
om
commit
|
commitdiff
|
tree
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