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Merge branch release-5-0 into release-5-1
2015-07-02
Szilard
P
all
Fix OpenCL
compilation errors
.
commit
|
commitdiff
|
tree
2015-06-29
Szilard Pall
Fix CUDA inter-stream sy
n
chronizat
i
on is
s
ue
commit
|
commitdiff
|
tree
2015-06-27
S
zi
l
ard Pall
Fix
C
UDA ar
c
h
itecture depend
e
nt is
s
ues
commit
|
commitdiff
|
tree
2015-06-25
Szilard Pall
Add missi
n
g m
a
cro
undef in
CUDA NB kernel
commit
|
commitdiff
|
tree
2015-06-21
S
zilard Pall
fix
C
P
U
core oversu
b
scription detectio
n
commit
|
commitdiff
|
tree
2015-06-17
Szi
l
ard Pall
fix minor CUDA NB kern
e
l performance regression
commit
|
commitdiff
|
tree
2015-06-08
Szilard Pall
add last two GR
O
MACS p
a
p
e
r c
i
tat
i
o
n
s
commit
|
commitdiff
|
tree
2015-06-06
Szilard Pall
O
p
timi
z
e atomic accumulation in CUDA NB kernel
commit
|
commitdiff
|
tree
2015-05-15
Szil
a
rd Pall
As
s
ert the size of
non-bonde
d
GP
U
work u
n
it
s
commit
|
commitdiff
|
tree
2015-05-14
Szilard P
a
ll
M
erge release-
4
-6 int
o
release-5-0
commit
|
commitdiff
|
tree
2015-05-13
S
z
ilar
d
Pall
Fix
a
uto-dow
n
loaded reg
r
ession test
e
xecution
commit
|
commitdiff
|
tree
2015-01-16
Szilard Pall
I
m
pr
o
ve
a
n
d clarify mdrun
behavior with nsteps<
0
commit
|
commitdiff
|
tree
2014-12-10
Szilard Pall
Fix nstep
command
line overr
i
de print
commit
|
commitdiff
|
tree
2014-09-30
Szila
r
d Pall
Fix incorrect LJ
cut-off with GPU + PM
E
tuning
commit
|
commitdiff
|
tree
2014-03-01
Szilard P
a
ll
A
dded CU
D
A LJ
-
PM
E
nbnxn
k
e
r
nels
commit
|
commitdiff
|
tree
2014-02-28
Sz
i
lard Pal
l
I
mpro
v
ed CUDA no
n
-bonded
ker
n
el performance
commit
|
commitdiff
|
tree
2014-02-27
Szilard Pall
C
U
DA kernels for
s
wi
t
ched L
J
commit
|
commitdiff
|
tree
2014-02-21
Sz
i
l
ard Pall
portab
i
lit
y
aspects
i
n install
guide + minor tw
e
aks
commit
|
commitdiff
|
tree
2013-12-02
Szilard Pal
l
r
emov
e
l
e
g
acy CUDA non-bonded
kernels
commit
|
commitdiff
|
tree
2013-11-13
Szilard
Pall
Clarified
G
PU s
e
le
c
ti
o
n out
p
ut and mdr
u
n help
commit
|
commitdiff
|
tree
2013-11-06
Szilard Pall
enable GP
U
sharing
a
mong tMPI ranks
commit
|
commitdiff
|
tree
2013-10-15
S
z
ilard
Pa
l
l
m
ake
u
se of CUDA stre
a
m priorities
commit
|
commitdiff
|
tree
2013-10-14
Szilard
Pall
us
e
CUD
A
te
x
ture object
s
when supported
commit
|
commitdiff
|
tree
2013-09-29
S
zilard
Pall
allow compilation to optimize fo
r
CUDA comp
u
te cap
.
.
.
commit
|
commitdiff
|
tree
2013-06-27
Szilard Pa
l
l
Adapted
c
lang-A
M
D-FMA wo
r
karoun
d
f
o
r both C
a
n
d
C+
+
commit
|
commitdiff
|
tree
2013-06-25
Szilard P
a
l
l
added CUD
A
compiler flags t
o
ve
r
sion
h
e
ader
commit
|
commitdiff
|
tree
2013-05-30
Szilard Pa
l
l
fi
x
thr
e
a
d
-safety issue in affinity
l
ayout detection
commit
|
commitdiff
|
tree
2013-05-30
Szilard Pall
add
workaround for clang on AMD with FMA
commit
|
commitdiff
|
tree
2013-05-30
S
z
ilard Pall
fix thre
a
d offset +
s
tride check
commit
|
commitdiff
|
tree
2013-05-27
Szila
r
d Pall
minor
fun
c
tion
a
rgument cleanup
commit
|
commitdiff
|
tree
2013-04-17
S
zilard Pall
CUD
A
PME k
e
r
nels with anal
y
tical E
w
ald
c
orrection
commit
|
commitdiff
|
tree
2013-01-24
Szilard Pa
l
l
added b
a
ck cu
d
a
.
h
includes to fix missing CUDA
_
VERSIO
N
commit
|
commitdiff
|
tree
2013-01-18
Szilar
d
Pa
l
l
remove unnecessary cmak
e
messages
commit
|
commitdiff
|
tree
2013-01-17
Szilard
P
all
d
o
n't us
e
pol
l
ing
with new driver
commit
|
commitdiff
|
tree
2013-01-11
Szil
a
rd Pall
ti
m
e the GPU force
clearing async launch o
v
erhead
commit
|
commitdiff
|
tree
2013-01-11
Szila
r
d Pall
consol
e
a
nd log
output i
m
prove
m
e
nts
commit
|
commitdiff
|
tree
2013-01-02
Szilard Pall
i
mp
r
oved rep
o
rti
n
g
o
f
failed affinity setting
commit
|
commitdiff
|
tree
2012-12-20
Sz
i
lard Pa
l
l
fi
x
incorrect gmx_fata
l
argument order
commit
|
commitdiff
|
tree
2012-12-18
Sz
i
l
ard Pa
l
l
issue error
if G
P
U
I
D is provided wit
h
GPU acc
.
off
commit
|
commitdiff
|
tree
2012-12-05
Szilard P
a
l
l
don't warn dur
i
ng configuring if
n
o GPUs we
r
e
f
o
u
nd
commit
|
commitdiff
|
tree
2012-12-05
S
z
ilard Pa
l
l
first st
e
p towar
d
movi
n
g OpenMM support to contrib
commit
|
commitdiff
|
tree
2012-12-05
S
z
ilard Pal
l
don't auto-set nvcc ho
s
t co
m
pi
l
er with
cm
a
k
e >2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-30
Szilard Pall
force C++ linking of th
e
gpu_
u
tils
commit
|
commitdiff
|
tree
2012-11-29
Szila
r
d Pall
m
ad
e
e
r
rors during GPU
d
e
t
e
ction non-
f
atal
commit
|
commitdiff
|
tree
2012-11-29
Sz
i
lard Pall
fix cmake
r
e-running fai
l
ure intr
o
d
u
ced by ef1127f
commit
|
commitdiff
|
tree
2012-11-29
Szil
a
r
d Pall
automation
f
or sett
i
n
g
GMX_G
P
U & cmake GPU detection
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pal
l
do
n
't pri
n
t
n
o
nbonde
d
kerne
l
info with GMX_NO_
N
ONBONDED
commit
|
commitdiff
|
tree
2012-11-28
S
zilard Pall
enabl
e
GPU emula
t
ion wit
h
out GPU su
p
por
t
commit
|
commitdiff
|
tree
2012-11-28
Szilard Pall
use t
M
PI API fo
r
thread affi
n
ity setti
n
g
commit
|
commitdiff
|
tree
2012-11-23
Szilard Pall
removed group non-bo
n
e
d
ed call with verlet scheme
commit
|
commitdiff
|
tree
2012-11-22
Szilard Pa
l
l
unset MP
I
detection leftover
c
a
che variables
commit
|
commitdiff
|
tree
2012-11-19
Szila
r
d Pall
a
l
ways mark as advanced leftover FindCUDA variabl
e
s
commit
|
commitdiff
|
tree
2012-11-09
S
z
i
l
ard
P
all
only u
s
e CPU_COUNT
i
f
it's
a
vai
l
able
commit
|
commitdiff
|
tree
2012-11-09
Szilard
P
all
also preferenti
a
te
.
lib
with GMX_PREFER_
S
TATIC
_
LIBS
commit
|
commitdiff
|
tree
2012-11-07
S
zilar
d
Pall
auto-set nvcc host compiler with FindMPI
detection
commit
|
commitdiff
|
tree
2012-11-07
Szilard Pall
detect extern
a
ll
y
set
CPU affin
i
ty
commit
|
commitdiff
|
tree
2012-11-02
S
z
ilard Pall
don't
e
xec
u
te any mpi_info
/
mpiname in the
path
commit
|
commitdiff
|
tree
2012-10-31
Szi
l
ar
d
Pall
fix internal/external OpenMP thr
e
a
d affinity cl
a
s
h
commit
|
commitdiff
|
tree
2012-10-22
Szilard Pall
fix CU
D
A n
o
n-bonded
kernel p
o
inte
r
assignment
commit
|
commitdiff
|
tree
2012-10-02
Szil
a
rd Pall
added Verlet scheme an
d
NxN non-b
o
nded functio
n
ali
t
y
commit
|
commitdiff
|
tree
2012-09-03
Sz
i
l
a
rd Pall
M
e
rge branch 'release
-
4-5-patches' into releas
e
-4-6
commit
|
commitdiff
|
tree
2012-06-27
Szilard P
a
ll
fixe
s
typo gmx_omp introduced by
6
97bcdc
commit
|
commitdiff
|
tree
2012-06-25
Sz
i
lar
d
Pall
i
n
troduce gmx_omp wrappe
r
fo
r
the OpenMP API
commit
|
commitdiff
|
tree
2012-05-22
Sz
i
lard P
a
ll
a
d
ded explicit sqr
t
f to the f
l
oa
t
version of norm
commit
|
commitdiff
|
tree
2012-05-02
Szilard Pa
l
l
re
m
oved
-
finline-funct
i
on
s
fr
o
m
the
release gcc flags
commit
|
commitdiff
|
tree
2012-04-26
Szilard Pall
Corrected four
i
erspacing descriptio
n
commit
|
commitdiff
|
tree
2012-04-19
Szilard P
a
ll
compi
l
er flag
f
ixes
commit
|
commitdiff
|
tree
2012-04-18
Szilard Pall
added missing #ifd
e
f
arou
n
d #include "thread_mpi
.
h"
commit
|
commitdiff
|
tree
2012-04-15
Szilard Pall
e
nable command line option ch
e
king i
n
mdrun
commit
|
commitdiff
|
tree
2012-03-28
Szil
a
rd Pall
Merge branch 're
l
ease-
4
-5-patches' in
t
o re
l
ease-4-6
commit
|
commitdiff
|
tree
2012-03-14
S
z
ilard Pall
fixed appending
OpenMP compiler option t
o
flag list
commit
|
commitdiff
|
tree
2012-02-29
Szilard
Pall
Mer
g
e branch 'rel
e
ase-4-5-pat
c
hes'
i
n
to release-4-6
commit
|
commitdiff
|
tree
2012-02-09
Szila
r
d Pall
r
enamed GMX
_
THREAD
S
to GMX
_
THR
E
AD_MP
I
commit
|
commitdiff
|
tree
2012-02-02
Szilard Pa
l
l
fixed confusing no
n
bonded kernel pointer initializa
t
ion
commit
|
commitdiff
|
tree
2012-01-17
Szilard
P
all
F
ixed ti
m
ing me
a
sur
e
ment
s
.
commit
|
commitdiff
|
tree
2011-04-08
S
zilard Pall
fixed g_
t
une_pme to pass correct
l
y boolea
n
a
r
g
u
m
ents
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
Szilard
P
all
added c
m
ake warning whe
n
t
h
e cach
e
generated on an
o
ther
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Szilard
P
all
fixed
b
uggy de
t
ectio
n
o
f hos
t
name and time of build
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
Sz
i
lard Pall
Me
r
ge branch 'release-4-5-patches' of g
i
t
.
gro
m
acs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
Szilard Pall
Merge branch 'release-4-5-
p
atches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Szilard Pall
now
it's possible to run
bi
n
a
r
ies in the build tree
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
M
e
rge branch 'relea
s
e-4-5-patch
e
s
'
of gi
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
z
ilard Pal
l
enabled GMX_PREFER_STATIC_L
I
BS CMake opt
i
on for CYGW
I
N
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
fixed the default for OpenMM plugin dir locati
o
n (bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
zilard Pall
fixed make insta
l
l-mdrun iss
u
e (bug #605)
commit
|
commitdiff
|
tree
2010-10-29
Szilar
d
Pall
(
r
e
)added "-dev" suffix for t
h
e CMake
hardcoded vers
i
on
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
zilard
P
all
a
d
d
e
d
CMake
opt
i
on GMX_PREFER_STATIC_L
I
BS (
a
lso fixes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Sz
i
l
a
rd P
a
ll
fixed
s
yntax
error from commit
bd5b2724
commit
|
commitdiff
|
tree
2010-10-05
S
z
ilard Pall
improved optio
n
compatibility checking
with Op
e
nMM
commit
|
commitdiff
|
tree
2010-10-05
Szilard Pall
improv
e
d option compa
t
i
b
ili
t
y
checking with OpenMM
commit
|
commitdiff
|
tree
2010-10-05
Sz
i
l
a
rd Pa
l
l
Merge
b
ranch
'
master' of g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-10-01
S
z
ilard Pall
m
a
ke install
-
mdr
u
n now installes shared libs (fix
f
or
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szilard Pall
F
i
ndFFT?[F] scripts can use a
path p
r
o
v
i
ded in FFT
W
x
.
.
.
commit
|
commitdiff
|
tree
2010-09-10
Szilard Pall
Merge
b
ranch 'maste
r
'
o
f git
.
gro
m
acs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-09-10
S
z
i
l
ard Pall
M
erge remote branch 'origin/r
e
lease-4-5-p
a
tche
s
'
commit
|
commitdiff
|
tree
2010-09-09
Szilard Pal
l
Me
r
ge branch 'master' of git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-09-09
S
z
ilard Pall
added gmx_membed
.
c
to
CMakeLists
.
txt
f
or mdrun
commit
|
commitdiff
|
tree
2010-09-08
Szi
l
ard Pall
Merg
e
branc
h
'r
e
lease-4-5-patches'
commit
|
commitdiff
|
tree
2010-09-08
Szi
l
ard Pall
Fixed binary/lib s
u
ffix
i
ng in
c
onsistencies (bug 539)
commit
|
commitdiff
|
tree
2010-09-07
S
zilard Pall
fixed warnin
g
s caused by some uninitialized
variables
commit
|
commitdiff
|
tree
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