repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Make multi-atom TPI reproducible
2018-03-06
Berk Hes
s
M
a
k
e
multi-
a
tom T
P
I rep
r
od
u
cible
commit
|
commitdiff
|
tree
2018-02-16
Aleksei Iupinov
Fix PME for la
r
ge s
y
stems with Fermi GPUs
commit
|
commitdiff
|
tree
2018-02-15
Aleksei
I
upin
o
v
Add the missing comma
i
n the quote
commit
|
commitdiff
|
tree
2018-02-08
Berk Hess
Use SIMD bonde
d
s wit
h
out perturbe
d
interactions
commit
|
commitdiff
|
tree
2018-02-06
Aleksei
Iupinov
Zero
unu
s
ed valu
e
s
t
o silence the warning
commit
|
commitdiff
|
tree
2018-02-06
Mark
A
b
raham
Use isfinite un
a
mbi
g
uou
s
ly
commit
|
commitdiff
|
tree
2018-01-03
Eri
k
Li
n
da
h
l
R
e
move
d
u
p
licati
o
ns in
G
M
X
L
IB searc
h
paths
commit
|
commitdiff
|
tree
2017-12-27
Mark Abraham
Silence POWER8 compiler warnings
commit
|
commitdiff
|
tree
2017-12-21
Mark
A
braha
m
Version 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
A
leksei
I
upino
v
Se
t
GMX
_
GPU
_
AUTO to
FALS
E
wit
h
GMX_GPU defined
commit
|
commitdiff
|
tree
2017-12-11
M
a
rk A
b
raha
m
Consume any erro
r
produce
d
duri
n
g GPU detection
commit
|
commitdiff
|
tree
2017-12-08
Berk Hess
Add Viveca Lindahl as contributor
commit
|
commitdiff
|
tree
2017-12-03
Berk
Hes
s
Tighten
B-spline
m
oduli single
p
r
e
ci
s
ion te
s
t tolerance
.
.
.
commit
|
commitdiff
|
tree
2017-11-28
Ale
k
sei Iupin
o
v
Re
p
lace of pmeGP
U
variabl
e
n
ame with pm
e
Gpu
commit
|
commitdiff
|
tree
2017-11-28
S
z
ilárd Pál
l
Separate loc
a
l GPU NB wa
i
t
f
ro
m
emulation l
a
unc
h
commit
|
commitdiff
|
tree
2017-11-28
S
z
ilárd Páll
Refactor G
P
U rolling prune launch
commit
|
commitdiff
|
tree
2017-11-27
A
leksei Iupinov
Add tests for PME t
u
ning a
n
d fix mixed
PME
m
ode
wit
h
.
.
.
commit
|
commitdiff
|
tree
2017-11-24
Alekse
i
Iu
p
inov
Destro
y
P
ME
G
P
U c
o
nt
e
xt
commit
|
commitdiff
|
tree
2017-11-24
Aleksei Iupinov
Do no
t
call
mixed C
P
U+GPU
PME mo
d
e "Hy
b
rid
"
commit
|
commitdiff
|
tree
2017-11-24
Berk
H
ess
Disabled CUD
A
timings
commit
|
commitdiff
|
tree
2017-11-24
M
ark Abr
a
ham
S
eparate mana
g
ement
of GPU con
t
exts from mod
u
les
commit
|
commitdiff
|
tree
2017-11-23
Szilárd Páll
Mov
e
GP
U
FFT/gathe
r
launch
a
fter GPU
n
onbon
d
e
ds
commit
|
commitdiff
|
tree
2017-11-21
Aleks
e
i Iupinov
Fix CUDA re
l
ease build w
a
rning
commit
|
commitdiff
|
tree
2017-11-21
Aleksei Iupinov
Fix pinned memory
s
ta
t
us checker tests
commit
|
commitdiff
|
tree
2017-11-20
Berk H
e
ss
Pr
e
vent PME tuning excessive
g
ri
d
scaling
commit
|
commitdiff
|
tree
2017-11-19
Mark Abra
h
am
Fix FindCUDA
.
cm
a
ke for
-W
u
ndef
commit
|
commitdiff
|
tree
2017-11-17
Aleksei Iupinov
M
a
ke gpu_utils-test build
w
i
th GMX_CLANG_CUDA
commit
|
commitdiff
|
tree
2017-10-31
Mark
Ab
r
aham
Up
d
ate
t
reatm
e
nt of GPU compatibility data structure
commit
|
commitdiff
|
tree
2017-10-31
Szilár
d
Páll
Fix nstlist increase warning pr
i
nt
commit
|
commitdiff
|
tree
2017-10-30
Aleksei Iup
i
nov
U
s
e
n
ew/delete for
g
mx_
p
me_t
commit
|
commitdiff
|
tree
2017-10-30
Aleksei Iupinov
Simplify PME data handling in runn
e
r
commit
|
commitdiff
|
tree
2017-10-29
A
l
e
k
sei Iup
i
no
v
Make PME
t
un
i
ng logic more
r
eadable
commit
|
commitdiff
|
tree
2017-10-27
Aleksei Iupinov
Repla
c
e
a
f
e
w as
s
ert
s
w
ith
GMX_ASSERT
'
s
commit
|
commitdiff
|
tree
2017-10-27
Aleksei Iupinov
Remove de
f
un
c
t PME init
i
alization e
r
r
or
code return
commit
|
commitdiff
|
tree
2017-10-26
M
ark A
b
raham
Mak
e
release
matrix work
a
gain
commit
|
commitdiff
|
tree
2017-10-24
Aleksei Iupinov
Remove d
u
pli
c
ate/outdated fu
n
ction de
c
laration
commit
|
commitdiff
|
tree
2017-10-23
Aleksei Iupinov
C
o
rrect the pag
e
allocator description
commit
|
commitdiff
|
tree
2017-10-23
Szilárd Páll
Eliminate some OCL/C
U
DA code c
o
de duplicatio
n
commit
|
commitdiff
|
tree
2017-10-22
Al
e
k
s
ei Iupinov
C
h
an
g
e PME GPU ga
t
her redu
c
tion
ar
g
ument from
b
oolea
n
.
.
.
commit
|
commitdiff
|
tree
2017-10-21
Aleksei
I
upinov
Add ca
l
ls to
the PME G
P
U s
t
ages
commit
|
commitdiff
|
tree
2017-10-19
Szil
á
rd Páll
Remo
v
e unise
d
OpenCL de
b
u
g
ging helpers
commit
|
commitdiff
|
tree
2017-10-12
Aleksei
I
upin
o
v
Remo
v
e usele
s
s extern CUDA texture
referenc
e
d
e
cla
r
ations
.
.
.
commit
|
commitdiff
|
tree
2017-10-11
Alekse
i
Iupinov
C
U
DA 9/Volta supp
o
rt for PME
commit
|
commitdiff
|
tree
2017-10-11
Aleksei Iupinov
Drop NB_ fro
m
GMX_CUDA_NB
_
SINGLE_COMPILAT
I
ON_UNIT c
m
ake
.
.
.
commit
|
commitdiff
|
tree
2017-10-09
Aleks
e
i
I
u
pin
o
v
Remo
v
e
s
ome un
n
e
cessar
y
i
n
c
ludes from
PME
commit
|
commitdiff
|
tree
2017-10-04
A
l
e
ksei Iupinov
Remove GPU ti
m
in
g
fu
n
ctions sup
e
rseded b
y
G
p
u
RegionTim
e
r
commit
|
commitdiff
|
tree
2017-10-03
Szilá
r
d Páll
Move Ewald s
p
litting-relat
e
d
code to ewal
d
-utils
commit
|
commitdiff
|
tree
2017-10-03
A
l
ek
s
e
i Iupin
o
v
B
ring CU
D
A texture
g
etters
documentation
up
-
to-date
commit
|
commitdiff
|
tree
2017-10-03
Alekse
i
I
u
pinov
A
d
d
W
i
n
A
P
I
page size
q
uery fo
r
a
l
l
o
cator purposes
commit
|
commitdiff
|
tree
2017-09-22
A
leksei Iupinov
Templat
e
th
e
CU
D
A texture setup code on raw value type T
commit
|
commitdiff
|
tree
2017-09-21
Ale
k
sei
I
upin
o
v
E
l
imina
t
e unused Coul
o
m
b
cor
r
ection table s
i
ze co
u
lomb_tab_size
commit
|
commitdiff
|
tree
2017-09-21
Aleks
e
i I
u
p
i
nov
Eliminate d
u
p
licate CU
D
A tex
t
ure se
t
up code
commit
|
commitdiff
|
tree
2017-09-19
Roland S
c
hulz
ICC: Di
s
abl
e
include path warning
commit
|
commitdiff
|
tree
2017-09-19
Mark Abr
a
ham
Update testing
matrices
to tes
t
wi
t
h
(latest) icc-18
commit
|
commitdiff
|
tree
2017-09-12
Aleksei
Iupi
n
o
v
Pre
v
ent
refer
e
n
ce XML reader seg
f
ault
on
n
ullp
t
r error
.
.
.
commit
|
commitdiff
|
tree
2017-09-12
Be
r
k
H
ess
Fix exception
i
n S
I
M
D
L
J
PME solve
commit
|
commitdiff
|
tree
2017-09-08
Roland Schulz
Fix compiler warning
commit
|
commitdiff
|
tree
2017-09-04
A
leksei Iupinov
M
erge "Merge
b
ranch release-5-
1
int
o
releas
e
-
2
016"
.
.
.
commit
|
commitdiff
|
tree
2017-08-31
A
l
e
ksei Iupino
v
Bring b
a
ck
space
l
o
st in commit e43e83bf
commit
|
commitdiff
|
tree
2017-08-29
A
leksei I
u
pi
n
ov
A
llow
passing op
t
ional widt
h
argument i
n
to CUDA s
h
u
ffl
e
.
.
.
commit
|
commitdiff
|
tree
2017-08-28
Berk Hess
Avoid bonded forces l
o
o
p
s/timers on inputs with no
.
.
.
commit
|
commitdiff
|
tree
2017-08-21
Ale
k
se
i
I
upinov
PM
E
solving te
s
ts
commit
|
commitdiff
|
tree
2017-08-17
A
l
e
ks
e
i Iupi
n
ov
Merge "Mer
g
e branch r
e
lease-5-1 int
o
r
e
lease-2016"
.
.
.
commit
|
commitdiff
|
tree
2017-07-06
Mark Ab
r
aham
S
i
mplify gmx_gpu_opt_t
commit
|
commitdiff
|
tree
2017-07-03
Berk Hess
Remove gmx_con
s
t
expr
commit
|
commitdiff
|
tree
2017-06-30
Aleksei
I
u
p
i
nov
R
e
move outdated cmake nvcc logic
commit
|
commitdiff
|
tree
2017-06-30
M
.
E
r
i
c Ir
r
gan
g
Ma
r
k unmodified
i
nput paramet
e
r
a
s const
.
commit
|
commitdiff
|
tree
2017-06-07
V
e
dran Miletić
Expand Per
f
o
rmance section of t
h
e
u
ser
g
ui
d
e
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Páll
Suppr
e
ss sm_2x depr
e
cation warning
with CUDA
8
.
0
commit
|
commitdiff
|
tree
2017-04-18
Berk H
e
s
s
S
u
ppress two compiler warn
i
n
g
s
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
Fix m
e
mory access iss
u
es in
gmx solvate
commit
|
commitdiff
|
tree
2017-04-06
Teemu Mu
r
tola
Consistent na
m
ing fo
r
gmxa
n
a tests
commit
|
commitdiff
|
tree
2017-04-04
Teemu Murtola
U
t
i
l
i
t
y functions f
o
r format
t
ing
s
trin
g
values
commit
|
commitdiff
|
tree
2017-03-29
Ma
r
k Abraham
Fix parame
t
er descr
i
ption for
d
i
hedral_
r
estraints
commit
|
commitdiff
|
tree
2017-03-29
S
z
ilárd Páll
Add CUDA util
f
uncti
o
n for const
a
nt
loads
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Pá
l
l
Conditional tw
e
ak in the nonbonded GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Alekse
i
Iu
p
inov
Fix d
e
referen
c
ing
n
ullpt
r
i
n
PME so
l
ve
work destru
c
tor
commit
|
commitdiff
|
tree
2017-03-09
Mark Abraham
R
e
factor GPU select
i
on handlin
g
commit
|
commitdiff
|
tree
2017-02-21
Aleksei Iu
p
i
n
ov
Remove u
n
used f
u
nction cu
_
sync
h
strea
m
_
atdat()
commit
|
commitdiff
|
tree
2017-02-09
Aleksei Iupinov
F
ix typo
(
D
ihedarl ->
D
ihedra
l
)
commit
|
commitdiff
|
tree
2017-02-02
B
e
rk
H
ess
Fix
array o
f
complex in cros
s
_corr
commit
|
commitdiff
|
tree
2017-01-19
A
l
eksei Iupinov
Simplify g
m
x_count_gpu_dev
_
unique()
commit
|
commitdiff
|
tree
2017-01-05
A
l
e
ksei Iu
p
inov
Fix compilatio
n
w
ith CMAKE_CXX_F
L
AGS="-Wall -W
e
rror"
commit
|
commitdiff
|
tree
2016-12-22
Al
e
ksei Iu
p
inov
Remove un
u
sed member
t
h
read_one from
t
he PME spline
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Alek
s
ei I
u
p
i
nov
Stop inclu
d
ing
p
ar
a
llel_3df
f
t
.
h in head
e
r
s
commit
|
commitdiff
|
tree
2016-10-24
A
l
eks
e
i Iup
i
nov
Treat
CUDA files a
s
C++ during cp
p
che
c
k
commit
|
commitdiff
|
tree