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Clean-up gmx_eof
2014-03-01
S
z
i
l
ard Pall
Added
CUDA
LJ-PM
E
nbnxn
ker
n
e
l
s
commit
|
commitdiff
|
tree
2014-02-28
Szilard Pal
l
Impr
o
ved CUDA
non-bonded kernel performance
commit
|
commitdiff
|
tree
2014-02-27
Szilard Pall
C
UD
A
kernels for switched LJ
commit
|
commitdiff
|
tree
2014-02-21
S
z
ilard
P
all
portabi
l
i
t
y aspe
c
ts in install g
u
ide
+
minor tweaks
commit
|
commitdiff
|
tree
2013-12-02
Szilard Pall
remov
e
legacy CUDA
non-bonded ke
r
ne
l
s
commit
|
commitdiff
|
tree
2013-11-13
Szilard Pall
Clarifie
d
GPU selectio
n
output and mdrun
help
commit
|
commitdiff
|
tree
2013-11-06
Szilard Pal
l
enable GPU sharing among
t
MPI ranks
commit
|
commitdiff
|
tree
2013-10-15
Szi
l
ard P
a
ll
make use of CUDA stre
a
m priorities
commit
|
commitdiff
|
tree
2013-10-14
Szilard Pall
u
se CUDA tex
t
ure o
b
jects wh
e
n
supported
commit
|
commitdiff
|
tree
2013-09-29
Sz
i
lard
Pall
a
ll
o
w compilat
i
on to
op
t
imize for
C
U
D
A compute ca
p
.
.
.
commit
|
commitdiff
|
tree
2013-06-27
Szilard Pall
Adapted c
l
ang
-
AMD-FM
A
worka
r
o
u
nd
f
or bo
t
h C an
d
C+
+
commit
|
commitdiff
|
tree
2013-06-25
Szila
r
d
Pall
ad
d
ed CUDA
c
ompiler flags
to version head
e
r
commit
|
commitdiff
|
tree
2013-05-30
Szilard Pall
fix thread-safety
i
ss
u
e in
a
ffinity layout detection
commit
|
commitdiff
|
tree
2013-05-30
S
z
il
a
rd Pa
l
l
ad
d
workar
o
und for clang on
AMD
w
i
t
h
FMA
commit
|
commitdiff
|
tree
2013-05-30
S
zilard
P
a
l
l
f
i
x thr
e
ad offset
+
s
t
ride
c
h
ec
k
commit
|
commitdiff
|
tree
2013-05-27
S
z
il
a
rd Pall
minor func
t
ion argum
e
nt cle
a
n
up
commit
|
commitdiff
|
tree
2013-04-17
Szilard
P
all
CUD
A
PME ke
r
nels wi
t
h analytical
E
wa
l
d correcti
o
n
commit
|
commitdiff
|
tree
2013-01-24
Szi
l
ard Pal
l
adde
d
back cuda
.
h includes
to fix missing CUDA_VE
R
SI
O
N
commit
|
commitdiff
|
tree
2013-01-18
Szilar
d
Pall
re
m
ove unnecessary cmake mes
s
ages
commit
|
commitdiff
|
tree
2013-01-17
Szilard P
a
ll
don't us
e
po
l
ling with new driv
e
r
commit
|
commitdiff
|
tree
2013-01-11
Sz
i
lard
Pall
time the
G
PU fo
r
ce clearing async launc
h
ov
e
rhead
commit
|
commitdiff
|
tree
2013-01-11
Szilard
P
a
l
l
co
n
sole an
d
l
o
g output improve
m
e
n
ts
commit
|
commitdiff
|
tree
2013-01-02
Szilard
P
a
ll
imp
r
oved reporting of faile
d
affini
t
y setting
commit
|
commitdiff
|
tree
2012-12-20
S
z
ilard Pal
l
fi
x
inc
o
r
r
ec
t
gmx_fatal argument order
commit
|
commitdiff
|
tree
2012-12-18
Szilard Pall
iss
u
e er
r
or
if GPU
I
D is provided with GPU
acc
.
off
commit
|
commitdiff
|
tree
2012-12-05
Szi
l
ard Pall
don't warn during configuring if no G
P
U
s
were found
commit
|
commitdiff
|
tree
2012-12-05
Szilar
d
Pa
l
l
firs
t
ste
p
towa
r
d moving OpenMM suppo
r
t to contrib
commit
|
commitdiff
|
tree
2012-12-05
Szilard Pall
don't auto-set nvcc ho
s
t
c
ompil
e
r with cmake >2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-30
Szilard Pall
for
c
e C++ linking of th
e
g
pu_utils
commit
|
commitdiff
|
tree
2012-11-29
Szi
l
a
rd Pall
made err
o
rs during GPU detection n
o
n-
f
atal
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pall
f
ix
c
make
r
e-runnin
g
failure
i
ntroduced by ef1127f
commit
|
commitdiff
|
tree
2012-11-29
Szilar
d
Pall
automa
t
ion for set
t
ing GM
X
_GPU & cmake
GPU d
e
tectio
n
commit
|
commitdiff
|
tree
2012-11-29
Szila
r
d Pall
d
o
n
't pri
n
t nonb
o
nded kerne
l
info with G
M
X
_NO_N
O
NBONDED
commit
|
commitdiff
|
tree
2012-11-28
S
z
ilard
P
all
enable GPU emulation without GPU
support
commit
|
commitdiff
|
tree
2012-11-28
Szilard Pa
l
l
use
t
MPI API for thread aff
i
nity setting
commit
|
commitdiff
|
tree
2012-11-23
Szilard
P
all
remov
e
d
group non-boneded call with verlet schem
e
commit
|
commitdiff
|
tree
2012-11-22
Szil
a
rd
P
all
unset
M
PI
detection lefto
v
er ca
c
he variab
l
es
commit
|
commitdiff
|
tree
2012-11-19
Szilard
P
al
l
always m
a
rk as advanced
l
e
ft
o
v
e
r FindC
U
DA varia
b
les
commit
|
commitdiff
|
tree
2012-11-09
S
z
ilard Pall
onl
y
use CPU_COUNT if it's available
commit
|
commitdiff
|
tree
2012-11-09
Szi
l
ard Pall
also p
r
efe
r
entiat
e
.
l
ib with GMX_PREFER_STA
T
IC_
L
I
B
S
commit
|
commitdiff
|
tree
2012-11-07
Szila
r
d Pall
auto-set nvcc host compiler
w
i
th
FindM
P
I detection
commit
|
commitdiff
|
tree
2012-11-07
Szilard
Pa
l
l
d
e
tect externally set CP
U
a
ffi
n
i
t
y
commit
|
commitdiff
|
tree
2012-11-02
S
zilard Pall
don't ex
e
cute a
n
y mpi_info
/
mpi
n
ame in t
h
e path
commit
|
commitdiff
|
tree
2012-10-31
Sz
i
lar
d
Pall
fix
i
nte
r
nal
/
e
x
ternal Open
M
P thr
e
ad affinity
c
lash
commit
|
commitdiff
|
tree
2012-10-22
Szilar
d
Pall
fix CUDA non-bon
d
ed kernel p
o
in
t
er assignment
commit
|
commitdiff
|
tree
2012-10-02
Szil
a
rd Pall
added
Verlet scheme
a
nd NxN non-bonded fun
c
tiona
l
ity
commit
|
commitdiff
|
tree
2012-09-03
Szila
r
d
P
all
Merge branch
'release-4-5-patches' in
t
o rel
e
ase-4-6
commit
|
commitdiff
|
tree
2012-06-27
Szilard Pall
fixes typ
o
gmx_omp intr
o
d
uced by
697bcd
c
commit
|
commitdiff
|
tree
2012-06-25
Szilar
d
Pa
l
l
introduce gmx
_
omp wrapper for t
h
e
O
penM
P
API
commit
|
commitdiff
|
tree
2012-05-22
S
zilard Pall
adde
d
exp
l
i
c
it
s
q
rtf to the fl
o
at ve
r
sion of norm
commit
|
commitdiff
|
tree
2012-05-02
Szilard
P
all
removed
-
finline-functions from t
h
e release gcc flags
commit
|
commitdiff
|
tree
2012-04-26
Szilard Pa
l
l
Correc
t
ed fou
r
i
er
s
pacing des
c
ription
commit
|
commitdiff
|
tree
2012-04-19
Szilard Pall
c
o
mpiler
f
l
ag fi
x
es
commit
|
commitdiff
|
tree
2012-04-18
Szi
l
ard
P
all
ad
d
e
d
missing #ifdef
a
r
oun
d
#include "t
h
read
_
m
p
i
.
h"
commit
|
commitdiff
|
tree
2012-04-15
Szilard Pall
ena
b
le comma
n
d line option chekin
g
in mdrun
commit
|
commitdiff
|
tree
2012-03-28
S
z
i
lard
Pall
M
erge bra
n
ch 'release
-
4-5-p
a
tches' into
release
-
4-6
commit
|
commitdiff
|
tree
2012-03-14
Szilard Pa
l
l
fixe
d
appendi
n
g Open
M
P compil
e
r optio
n
to flag list
commit
|
commitdiff
|
tree
2012-02-29
Szilar
d
Pall
Me
r
ge branch 'release-4-5-
p
atches' into release
-
4-6
commit
|
commitdiff
|
tree
2012-02-09
Szilard Pall
renamed
G
MX_
T
HR
E
A
D
S
t
o
GMX_THREAD_MPI
commit
|
commitdiff
|
tree
2012-02-02
Szilard Pall
fixed
c
onf
u
sing non
b
onded kernel point
e
r initial
i
za
t
i
on
commit
|
commitdiff
|
tree
2012-01-17
Szilard P
a
ll
Fi
x
ed timing measureme
n
ts
.
commit
|
commitdiff
|
tree
2011-04-08
Szil
a
rd
P
all
fixed g_tune_
p
me to pass corre
c
t
ly boolean arguments
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
S
z
i
l
a
r
d P
a
ll
add
e
d cm
a
ke warning
wh
e
n the
c
ache generate
d
on
another
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Szilard Pal
l
fixed buggy detection o
f
hostnam
e
and time of build
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
S
zilar
d
Pall
Merge branch 'release-4-5-patches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
Szilard P
a
l
l
Merge bra
n
ch 're
l
eas
e
-4
-
5-p
a
tches
'
of git
.
gr
o
macs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Szilard Pall
now it's
p
o
s
sible to run binarie
s
in the bu
i
ld t
r
ee
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szila
r
d
Pall
Merge
b
ranch 'release-4-5-patc
h
es'
o
f
g
it
.
gromacs
.
or
g
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pa
l
l
e
nab
l
e
d
G
M
X
_
P
R
E
FER_ST
A
TIC_LIBS CMake op
t
i
o
n
for CY
G
WIN
commit
|
commitdiff
|
tree
2010-10-29
S
zil
a
rd Pall
fixed th
e
de
f
ault for Ope
n
MM
p
lugin dir locati
o
n (bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard
P
all
fixed make
i
nstall-
m
d
run issue (bug #60
5
)
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
(
re)a
d
d
ed "-
d
ev" suffix for the CMake hard
c
od
e
d
v
e
r
sion
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
z
i
lard Pall
a
dd
e
d C
M
ake option GMX_PREFER_STAT
I
C_
L
IBS (
a
lso
f
ixes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
S
z
ilard Pall
fixed sy
n
t
a
x erro
r
from commit bd5b2
7
24
commit
|
commitdiff
|
tree
2010-10-05
Szi
l
a
rd Pall
i
m
proved
option
compat
i
bility checking
with OpenMM
commit
|
commitdiff
|
tree
2010-10-05
Szil
a
rd
Pall
improve
d
optio
n
c
ompatibility checking with OpenMM
commit
|
commitdiff
|
tree
2010-10-05
S
zil
a
rd Pall
Merg
e
branch 'ma
s
ter' of git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-10-01
S
z
i
l
ard
Pa
l
l
make ins
t
all-mdrun now installes shared li
b
s (fix for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szil
a
rd Pall
FindFFT?[F] s
c
ripts can
u
se a path provided in FFTWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-10
Szi
l
ard Pall
Merge br
a
n
ch 'ma
s
ter
'
of
git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-09-10
Szilard Pal
l
Merge remote branch '
o
rigin/release-4-5-
p
a
t
ch
e
s'
commit
|
commitdiff
|
tree
2010-09-09
S
z
ilard Pall
Me
r
ge branch 'mas
t
e
r
'
of git
.
gromacs
.
o
r
g:gro
m
acs
commit
|
commitdiff
|
tree
2010-09-09
Sz
i
lard Pall
added gmx_
m
embed
.
c to CMakeL
i
sts
.
txt for mdru
n
commit
|
commitdiff
|
tree
2010-09-08
Szilard
Pal
l
Merge branch
'
release-4-5-patches'
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pall
F
i
xe
d
binary
/
lib
s
u
ffixi
n
g inconsistencies (
b
ug
539)
commit
|
commitdiff
|
tree
2010-09-07
S
z
ilard Pall
fixed warnings c
a
use
d
by some un
i
n
itialized variables
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
M
erge branch
'
releas
e
-4-5-patches'
commit
|
commitdiff
|
tree
2010-09-06
S
z
i
l
ard Pall
Mark advanced variables
/
options that a
r
e no
t
rele
v
a
nt
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szila
r
d Pall
M
a
rk advanced GMX_BINARY_SUFFI
X
and G
M
X_
L
IBS_SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szilard Pa
l
l
Updated li
s
t
o
f supp
o
rt
e
d GPUs
commit
|
commitdiff
|
tree
2010-08-31
Szilard P
a
ll
Me
r
ge branch 'release-4-5-patches' of git://git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Sz
i
lard Pa
l
l
Improved option di
s
abli
n
g on swi
t
chi
n
g to Ope
n
MM
b
u
i
ld
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szila
r
d Pall
fi
x
ed/improved cma
k
e FF
T
W
3
detection
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pal
l
Merg
e
branch 'rele
a
se-
4
-5-patches'
commit
|
commitdiff
|
tree
2010-08-03
Szilar
d
Pall
minor addition
t
o previus
g
cc
4
.
1
.
x disab
l
ing commit
commit
|
commitdiff
|
tree
2010-08-03
Szi
l
ard P
a
ll
Merge
branch 'releas
e
-4
-
5-
p
atc
h
es
'
commit
|
commitdiff
|
tree
2010-08-03
Szi
l
a
rd
P
all
Removed gcc 4
.
1
.
x check
as
b
ug 431
t
urned out
t
o be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
S
zilar
d
Pall
additional fix
to
c
ommi
t
c5d62
a
f07d01b8, now libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pall
Merge bra
n
ch '
m
aster' o
f
git
@
gi
t
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-06-24
Szi
l
ard Pall
cm
a
ke support for
user-defined
b
inary prefixes,
custom
.
.
.
commit
|
commitdiff
|
tree
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