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Fix CMake namespace pollution
2013-01-24
S
zil
a
r
d
P
all
a
d
d
ed back cuda
.
h includ
e
s
t
o
f
i
x missi
n
g CUDA_VERSIO
N
commit
|
commitdiff
|
tree
2013-01-18
Szilard Pall
remove unne
c
e
ssary cmake messages
commit
|
commitdiff
|
tree
2013-01-17
S
z
ilard Pall
don't
u
se
pollin
g
with
n
ew dr
i
v
er
commit
|
commitdiff
|
tree
2013-01-11
Szi
l
ard Pall
t
i
me the GPU force cl
e
aring
async launch overhead
commit
|
commitdiff
|
tree
2013-01-11
Szi
l
a
r
d Pa
l
l
c
o
nso
l
e and log output improvemen
t
s
commit
|
commitdiff
|
tree
2013-01-02
S
zilard Pal
l
i
m
prov
e
d
reporting of faile
d
affinity setting
commit
|
commitdiff
|
tree
2012-12-20
Szilard
P
all
fix inco
r
rect gmx_fatal argument orde
r
commit
|
commitdiff
|
tree
2012-12-18
Szilard Pa
l
l
issue e
r
ror
if GP
U
ID is pro
v
ided with GPU a
c
c
.
o
ff
commit
|
commitdiff
|
tree
2012-12-05
Szil
a
rd
P
a
ll
don't warn du
r
ing configurin
g
if no GPUs were
found
commit
|
commitdiff
|
tree
2012-12-05
Szi
l
ard
P
all
first ste
p
toward moving Open
M
M suppor
t
to
c
ontrib
commit
|
commitdiff
|
tree
2012-12-05
Szilard Pall
don'
t
auto-set nvcc ho
s
t
c
omp
i
ler with cmake >2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-30
Szil
a
rd Pall
f
o
r
c
e
C
++
l
inking of
t
he
g
pu_utils
commit
|
commitdiff
|
tree
2012-11-29
S
z
i
l
ard Pall
made er
r
o
r
s during GPU detection non-fat
a
l
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pall
fix
cm
a
ke re-r
u
nning
f
ailure in
t
r
o
duced by e
f
1127f
commit
|
commitdiff
|
tree
2012-11-29
S
z
ilard
Pa
l
l
automation fo
r
set
t
i
ng
G
MX
_
G
PU & cmake GPU detection
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pall
d
on't
print nonbonded ker
n
el
info
w
ith GMX_NO_NONBONDED
commit
|
commitdiff
|
tree
2012-11-28
Szilard Pall
enable
GPU emulati
o
n without GPU support
commit
|
commitdiff
|
tree
2012-11-28
Szilard Pall
use tMPI API for thr
e
ad af
f
i
n
ity settin
g
commit
|
commitdiff
|
tree
2012-11-23
Szi
l
a
rd Pall
r
emoved group non-boneded call with verlet scheme
commit
|
commitdiff
|
tree
2012-11-22
Szilard Pall
uns
e
t MP
I
d
e
t
ection leftov
e
r cache variable
s
commit
|
commitdiff
|
tree
2012-11-19
S
z
ilard Pall
always mark as adv
a
nced leftover FindCU
D
A vari
a
bles
commit
|
commitdiff
|
tree
2012-11-09
Sz
i
la
r
d Pa
l
l
only use CPU_COUNT i
f
it's availabl
e
commit
|
commitdiff
|
tree
2012-11-09
Szilar
d
P
all
also pr
e
ferentiate
.
l
ib with GMX_P
R
EFER_STATIC
_
L
IBS
commit
|
commitdiff
|
tree
2012-11-07
Szilard Pall
a
u
t
o
-set n
v
cc host compiler with
F
indMPI
d
etectio
n
commit
|
commitdiff
|
tree
2012-11-07
S
z
i
lard Pa
l
l
detect external
l
y set CP
U
affinity
commit
|
commitdiff
|
tree
2012-11-02
Sz
i
lard Pall
don't exec
u
t
e
any mpi_i
n
fo/m
p
iname
i
n the pat
h
commit
|
commitdiff
|
tree
2012-10-31
Szilard Pa
l
l
fix
internal/
e
xtern
a
l Open
M
P thread affinit
y
clas
h
commit
|
commitdiff
|
tree
2012-10-22
Szila
r
d Pall
fi
x
CUDA non-bond
e
d kernel
p
ointer assi
g
nment
commit
|
commitdiff
|
tree
2012-10-02
Szil
a
rd Pall
added
V
e
r
let scheme and
NxN non-bonded
f
unc
t
ionality
commit
|
commitdiff
|
tree
2012-09-03
Szilard
Pall
Merge branch 'release-
4
-5-patches'
i
n
t
o rele
a
se-4-6
commit
|
commitdiff
|
tree
2012-06-27
Szilar
d
Pall
fixes typo
g
mx
_
o
m
p introduced by 69
7
b
c
dc
commit
|
commitdiff
|
tree
2012-06-25
Szilard Pall
in
t
roduce gmx_
o
mp wrapper fo
r
th
e
Ope
n
MP API
commit
|
commitdiff
|
tree
2012-05-22
Szilard Pall
added explicit sqrtf to t
h
e float version of norm
commit
|
commitdiff
|
tree
2012-05-02
Szilard Pall
remove
d
-finlin
e
-fu
n
ctions from
t
he relea
s
e gcc
f
lags
commit
|
commitdiff
|
tree
2012-04-26
Szilar
d
Pall
C
orrected fouri
e
rspac
i
ng
des
c
r
i
p
ti
o
n
commit
|
commitdiff
|
tree
2012-04-19
Szil
a
rd Pall
c
ompiler flag
f
ix
e
s
commit
|
commitdiff
|
tree
2012-04-18
S
zilard Pall
a
dded mi
s
si
n
g
#ifdef aro
u
nd #i
n
clude "thr
e
ad_mpi
.
h
"
commit
|
commitdiff
|
tree
2012-04-15
Szi
l
ard Pall
enable command
l
ine option cheking in
m
drun
commit
|
commitdiff
|
tree
2012-03-28
Szilard Pall
Merge br
a
n
c
h
'release-4-5-patches'
i
nto relea
s
e-4-6
commit
|
commitdiff
|
tree
2012-03-14
Szilard Pall
fixed appending OpenMP co
m
piler op
t
ion to
flag list
commit
|
commitdiff
|
tree
2012-02-29
Szilard Pall
M
e
rge b
r
anch 'release-4-5-patches'
i
nto release-4-6
commit
|
commitdiff
|
tree
2012-02-09
S
zilard Pall
renamed GMX_TH
R
EADS to
G
MX_THREAD_MPI
commit
|
commitdiff
|
tree
2012-02-02
Szilard Pall
fixed co
n
fusi
n
g no
n
bonded ker
n
el p
o
i
n
t
er initialization
commit
|
commitdiff
|
tree
2012-01-17
S
z
ilard Pall
Fi
x
ed
ti
m
in
g
measuremen
t
s
.
commit
|
commitdiff
|
tree
2011-04-08
Szilar
d
Pall
fi
x
ed g_tune_pme to pass c
o
rrectly boolean arg
u
m
ent
s
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
Szilard P
a
l
l
added cmake warni
n
g
w
hen th
e
cach
e
generated
on
a
n
other
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Szila
r
d Pall
f
ixed buggy detect
i
on of h
o
stname
and ti
m
e o
f
bui
l
d
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
Szilard Pall
Merge
b
ranch '
r
elea
s
e-4-5-patches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
Szilard Pall
Merge
b
ranch 'release-4
-
5-
p
atches' of
g
i
t
.
g
r
o
mac
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Szilard Pall
n
o
w it's
p
ossible to
r
un
binaries i
n
the
buil
d
tree
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard P
a
ll
Merge branch 'rel
e
a
s
e-4-5-patches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pal
l
e
n
able
d
GMX_PR
E
FE
R
_
S
TAT
I
C_LI
B
S CMa
k
e
option fo
r
CYGW
I
N
commit
|
commitdiff
|
tree
2010-10-29
Sz
i
lar
d
Pa
l
l
fixed the default for O
p
e
nMM plugin dir location (bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard P
a
ll
f
ixed make
i
ns
t
all-mdrun issue
(bug #605)
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
(r
e
)added "-dev" suffix
for the CMake hardcoded ver
s
ion
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pal
l
added
C
M
a
ke option
GMX_PREFER_STATI
C
_LIB
S
(
als
o
fi
x
es
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
S
z
ilard Pall
fix
e
d
syntax error from c
o
mmit b
d
5
b
2724
commit
|
commitdiff
|
tree
2010-10-05
Szil
a
rd Pall
improved option compatibility chec
k
ing
with
O
pe
n
MM
commit
|
commitdiff
|
tree
2010-10-01
Szilard Pall
make i
n
sta
l
l-mdrun now install
e
s shar
e
d
l
i
bs (fix for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
S
z
i
l
ard
Pall
FindFFT?[F] scrip
t
s c
a
n us
e
a path provided in FFTWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
S
z
i
l
a
rd P
a
ll
F
i
xed bin
a
ry/lib suf
f
ixing inconsis
t
encies (bug 539)
commit
|
commitdiff
|
tree
2010-09-07
Szilard P
a
ll
fixed wa
r
n
i
ngs caused by some uninit
i
alize
d
var
i
ables
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
Mark advanced variab
l
es/options that are not relevant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
S
zilard
Pal
l
Mark advanced GM
X
_BINARY_SUFFIX and G
M
X_LIBS_SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szila
r
d
P
all
Updated list of supporte
d
GPUs
commit
|
commitdiff
|
tree
2010-08-31
Szil
a
rd Pall
Merge branch 'r
e
lease-4-
5
-patches' of git://git
.
groma
c
s
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard
P
all
Im
p
roved op
t
ion disabli
n
g on sw
i
tchi
n
g t
o
OpenMM build
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szi
l
ard Pal
l
fixed/improved cmake F
F
TW3 de
t
ection
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
minor a
d
dition to previus gcc
4
.
1
.
x disabling
c
o
mmit
commit
|
commitdiff
|
tree
2010-08-03
Szilard P
a
ll
Remov
e
d gcc 4
.
1
.
x check as bug 431
t
urned ou
t
to
b
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pall
a
d
dition
a
l fix
to
c
ommit
c5
d
62af0
7
d01b8
,
now libm
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Sz
i
lard
P
all
Merge bra
n
ch 'ma
s
ter' of
git@git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-06-24
Szil
a
rd
P
all
cmake su
p
port fo
r
user-defined
bina
r
y
prefixes,
c
ustom
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szilar
d
Pa
l
l
Merge
branch '
m
aster' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-20
Sz
i
lard Pall
Fixed GCC
version checkin
g
in cmak
e
commit
|
commitdiff
|
tree
2010-06-17
Szilard
P
a
ll
Merge b
r
a
nch
'
master'
o
f git@git
.
g
romacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-06-17
Sz
i
l
a
rd Pall
f
ixed
m
inor bug in openmm_wrapp
e
r
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pall
Imple
m
e
nted (bu
g
gy) gcc
4
.
1
.
x check in cmak
e
.
commit
|
commitdiff
|
tree
2010-06-10
Szila
r
d Pall
f
ixed warnings in
g
m
x_gp
u
_utils
an
d
op
e
nmm
_
w
r
a
p
p
er
commit
|
commitdiff
|
tree
2010-06-10
Sz
i
lar
d
P
all
Merge bran
c
h '
m
a
ster' of g
i
t@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fi
x
ed logg
i
ng
o
ut
p
ut
i
n do_md_
o
p
en
m
m
commit
|
commitdiff
|
tree
2010-06-03
Szilard P
a
l
l
M
erge branch 'master'
of gi
t
@g
i
t
.
gromacs
.
org:
g
ro
m
acs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pal
l
M
erge
branch 'm
a
ster'
o
f git@git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-06-01
S
zila
r
d
P
all
fixed O
p
enMM interaction type che
c
k
commit
|
commitdiff
|
tree
2010-05-31
Szilard P
a
ll
minor fixes in ditribu
t
ion files
commit
|
commitdiff
|
tree
2010-05-31
Szil
a
rd
P
a
ll
Merge
branch
'master'
of git@git
.
grom
a
cs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Updated README and INSTALL
f
i
les, added
R
EA
D
ME-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
S
zi
l
ard Pa
l
l
Fixed typo in CMakeLists f
o
r mdru
n
-
gpu
commit
|
commitdiff
|
tree
2010-05-30
S
z
ilard P
a
l
l
Open
M
M: a
d
d
e
d combinatio
n
rule ch
e
ck, dis
a
bled rest
r
aint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szil
a
r
d Pall
Fix fo
r
MSVC linkin
g
and release-build OpenMM p
l
ugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
S
z
ilard Pall
Fixed
some co
m
piler warin
i
gs, mino
r
bugs
a
nd doc
u
m
e
ntation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
Merg
e
br
a
nch 'master' of git@git
.
gro
m
acs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
fix
e
d
t
h
e
PME tole
r
ance
"
a
dju
s
tmen
t
"
for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pall
M
e
r
ge bran
c
h
'
m
ast
e
r' of g
i
t
@
git
.
gromacs
.
org
:
gr
o
macs
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d
Pall
Fix in openmm
_
wrapp
e
r whi
c
h
makes
i
t
work wi
t
h
M
SVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
fixed signal handling in
m
d_op
e
nmm
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pall
Merge b
r
a
n
ch 'mast
e
r
' of git@git
.
grom
a
cs
.
o
r
g:gro
m
a
c
s
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
minor fixes in
documentat
i
on + so
m
e d
e
b
u
gging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
added os-specific defines from cmake r
e
q
u
ir
e
d
by me
m
tes
t
G80
commit
|
commitdiff
|
tree
2010-05-10
Szila
r
d Pa
l
l
MS
V
C
fix
f
or gmx_parallel_
3
dfft
.
c
commit
|
commitdiff
|
tree
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