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Fix CUDA being quiet and mark all CUDA_* as advanced
2012-12-20
Szilar
d
Pall
f
ix
incorrect gmx_fatal argume
n
t order
commit
|
commitdiff
|
tree
2012-12-18
S
z
ilard Pa
l
l
is
s
ue err
o
r
i
f GPU ID is p
r
ovided with
G
PU a
c
c
.
off
commit
|
commitdiff
|
tree
2012-12-05
Szila
r
d
Pall
d
o
n
'
t
warn du
r
ing
c
o
n
figuring if no
G
PUs w
e
re found
commit
|
commitdiff
|
tree
2012-12-05
Sz
i
lard Pall
first step toward mov
i
ng Op
e
n
MM suppo
r
t to contrib
commit
|
commitdiff
|
tree
2012-12-05
Szilard Pall
don't
a
u
to-set nvcc host com
p
iler with cmake >2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-30
Szilard Pa
l
l
f
o
rce C++ linki
n
g
o
f th
e
gpu_utils
commit
|
commitdiff
|
tree
2012-11-29
S
zilard Pall
made erro
r
s during
GPU d
e
tec
t
ion n
o
n-fatal
commit
|
commitdiff
|
tree
2012-11-29
Szi
l
ard Pall
fix cmake re-running failure int
r
oduced by ef1127f
commit
|
commitdiff
|
tree
2012-11-29
Sz
i
lar
d
Pa
l
l
automation for setting GMX_GPU
& cma
k
e GPU d
e
tec
t
ion
commit
|
commitdiff
|
tree
2012-11-29
Szi
l
a
r
d Pall
don't p
r
int
n
on
b
ond
e
d
k
e
rnel
i
nf
o
w
i
t
h
GMX_N
O
_
N
O
N
B
ONDED
commit
|
commitdiff
|
tree
2012-11-28
S
z
ila
r
d Pall
ena
b
le GPU e
m
ulati
o
n with
o
u
t
GP
U
s
u
pport
commit
|
commitdiff
|
tree
2012-11-28
Szil
a
rd Pal
l
use tMPI API for
t
hre
a
d affini
t
y setting
commit
|
commitdiff
|
tree
2012-11-23
Szi
l
ard Pall
r
e
moved grou
p
non-bon
e
d
ed c
a
l
l w
i
th verlet scheme
commit
|
commitdiff
|
tree
2012-11-22
S
z
ilard Pall
unse
t
MPI det
e
ction
l
ef
t
over cac
h
e variabl
e
s
commit
|
commitdiff
|
tree
2012-11-19
S
z
ilard
P
a
ll
alway
s
mark as advanced
l
eftover FindCUDA variabl
e
s
commit
|
commitdiff
|
tree
2012-11-09
S
zila
r
d
Pa
l
l
only use CPU_COU
N
T if it's available
commit
|
commitdiff
|
tree
2012-11-09
S
zilard
P
all
al
s
o
pr
e
fere
n
tia
t
e
.
l
ib with GMX_
P
REFER_STATIC_LIBS
commit
|
commitdiff
|
tree
2012-11-07
Szilard Pall
auto
-
set nvcc
h
ost compiler with F
i
ndMPI de
t
e
c
t
io
n
commit
|
commitdiff
|
tree
2012-11-07
Szil
a
rd Pal
l
detect externally set CPU affinity
commit
|
commitdiff
|
tree
2012-11-02
Szilard Pall
don't
e
xecute any m
p
i_info/mpinam
e
in t
h
e path
commit
|
commitdiff
|
tree
2012-10-31
Szilard
Pall
fix internal/exte
r
nal OpenMP threa
d
affinity clash
commit
|
commitdiff
|
tree
2012-10-22
Szil
a
rd Pal
l
fix CUDA non-bond
e
d kernel p
o
inter assignment
commit
|
commitdiff
|
tree
2012-10-02
Szilard Pall
adde
d
Ver
l
e
t scheme and
NxN no
n
-bonded
f
unctionality
commit
|
commitdiff
|
tree
2012-09-03
S
z
ilard
P
all
M
e
r
ge branch 'release-4-5-patches' into release-4-6
commit
|
commitdiff
|
tree
2012-06-27
S
z
i
lar
d
P
a
ll
fixe
s
ty
p
o gmx_omp intr
o
duced by 6
9
7bcd
c
commit
|
commitdiff
|
tree
2012-06-25
Szilard
P
al
l
introduce g
m
x_omp wrapper for t
h
e OpenMP AP
I
commit
|
commitdiff
|
tree
2012-05-22
Szi
l
ard Pall
ad
d
ed
e
xplicit
s
q
rtf
t
o the f
l
oat version of norm
commit
|
commitdiff
|
tree
2012-05-02
Szila
r
d P
a
ll
re
m
o
ved
-finline-functions from the
r
elease gcc fl
a
g
s
commit
|
commitdiff
|
tree
2012-04-26
Szilard
P
a
l
l
Correc
t
ed fourierspacing descr
i
ption
commit
|
commitdiff
|
tree
2012-04-19
Szilard Pall
c
o
m
piler flag
f
ixes
commit
|
commitdiff
|
tree
2012-04-18
Szilard Pall
added missing #
i
fdef around #in
c
l
ude "t
h
read_mpi
.
h"
commit
|
commitdiff
|
tree
2012-04-15
Szil
a
rd Pall
enable co
m
mand line option che
k
ing in md
r
un
commit
|
commitdiff
|
tree
2012-03-28
Szilard Pall
M
e
rge branch '
r
ele
a
se-4-5-
p
atches' into release-4-6
commit
|
commitdiff
|
tree
2012-03-14
Sz
i
lard Pall
fixed a
p
pending
OpenM
P
c
o
mpiler
option to flag
list
commit
|
commitdiff
|
tree
2012-02-29
Szilard
P
a
ll
Merge
bran
c
h 'release-4-
5
-patches'
i
nto release-4-6
commit
|
commitdiff
|
tree
2012-02-09
Szilard
P
all
renam
e
d GMX_THR
E
ADS to GMX_THREAD
_
MPI
commit
|
commitdiff
|
tree
2012-02-02
S
zilard
Pall
fixed confusing nonb
o
n
d
ed kernel pointer initi
a
lization
commit
|
commitdiff
|
tree
2012-01-17
Sz
i
lard Pall
Fi
x
ed tim
i
ng meas
u
r
e
m
ents
.
commit
|
commitdiff
|
tree
2011-04-08
S
zilard
Pa
l
l
fixed g_tu
n
e_pme to pass correc
t
ly bool
e
an arguments
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
S
z
ilar
d
Pall
a
d
ded
cm
a
ke w
a
rning when the cache generated on a
n
ot
h
er
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Szilard Pa
l
l
fixe
d
b
u
g
gy detection
o
f host
n
ame and
t
ime of b
u
i
l
d
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
Szilard P
a
ll
Me
r
ge bran
c
h
'
r
e
l
ea
s
e
-
4-5-
p
a
tches' of
gi
t
.
gromac
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
Szilard Pall
Me
r
ge bra
n
c
h 'relea
s
e-4-5-patche
s
' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
S
z
ilard Pall
now it's possib
l
e to
run binari
e
s in the build tree
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szil
a
r
d P
a
ll
Merge branch 'release-4-
5
-pa
t
ches' of git
.
gromac
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
enabled GMX_PREFER_STATIC_LIBS CMake
o
p
t
ion for CYGWIN
commit
|
commitdiff
|
tree
2010-10-29
Szilard
Pal
l
fixed the default for OpenMM pl
u
gin dir locati
o
n (bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szil
a
rd P
a
ll
fixed
make i
n
stall-mdrun issue (bug
#
6
0
5)
commit
|
commitdiff
|
tree
2010-10-29
S
zil
a
rd Pall
(re
)
added "-dev" suffix for
t
he CMa
k
e hardcoded versio
n
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
z
i
lard
P
all
add
e
d
C
Ma
k
e
opti
o
n GM
X
_PREF
E
R_ST
A
TIC_LIBS (also f
i
xes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Szilard
P
a
l
l
fixed syntax error from commit bd
5
b272
4
commit
|
commitdiff
|
tree
2010-10-05
Szilard Pa
l
l
improved opti
o
n
compatibili
t
y ch
e
c
k
ing
w
ith
Open
M
M
commit
|
commitdiff
|
tree
2010-10-01
Szilard P
a
ll
mak
e
i
nstall-mdru
n
now i
n
stalles shared
lib
s
(
fix
f
or
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szilard
Pall
FindFFT?[F] s
c
r
ip
t
s can use a pa
t
h
pro
v
ided in FFTWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilard
P
all
Fixed bina
r
y
/lib suffixing inconsis
t
en
c
ie
s
(
b
u
g
5
39)
commit
|
commitdiff
|
tree
2010-09-07
Szi
l
ard P
a
l
l
fixed w
a
rnings caused by some
uninitial
i
ze
d
variab
l
es
commit
|
commitdiff
|
tree
2010-09-06
S
zila
r
d
Pall
Mark advan
c
ed variabl
e
s/op
t
ions that
are
not re
l
evant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
Mar
k
adv
a
nced GMX_B
I
N
A
RY_SU
F
F
I
X
and GMX_
L
IBS_SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szil
a
rd
P
all
Upd
a
ted list of supported GPUs
commit
|
commitdiff
|
tree
2010-08-31
Sz
i
lard Pall
Merge bran
c
h 'relea
s
e-4-
5
-p
a
tch
e
s' of git://git
.
grom
a
cs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szila
r
d Pall
Im
p
roved option disabling on switch
i
ng to O
p
enMM build
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Sz
i
lard
P
all
fixed/improved cma
k
e FFTW3
det
e
ctio
n
commit
|
commitdiff
|
tree
2010-08-03
Sz
i
lard P
a
ll
minor
addit
i
on to prev
i
us gcc
4
.
1
.
x di
s
abling c
o
mmit
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
Rem
o
ved gcc 4
.
1
.
x
check as bug
4
31 turned out
to
be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szila
r
d
P
all
add
i
tional fix to commi
t
c5d62af07d01b8, now libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
S
z
ilard Pall
Merge bra
n
ch '
m
aster' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pall
cmake s
u
pport f
o
r
user
-
de
f
i
n
ed b
i
nary prefixes,
c
ustom
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szila
r
d P
a
ll
Merge
bran
c
h 'mas
t
er' of g
i
t@git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pall
F
i
xe
d
GC
C
version ch
e
cking i
n
cmake
commit
|
commitdiff
|
tree
2010-06-17
Szilard
Pall
Merge branch
'
m
a
ster' of git@git
.
gromacs
.
o
rg:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-17
Szilard P
a
ll
fi
x
ed minor bug in
openmm_wrapp
e
r
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilard
Pall
Implemented (
b
uggy) gcc 4
.
1
.
x
ch
e
c
k in cma
k
e
.
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
f
i
xed warnin
g
s in
g
mx_gpu_utils
and open
m
m_wrap
p
er
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
Me
r
ge
b
ranc
h
'ma
s
t
er
'
o
f git
@
git
.
grom
a
c
s
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-10
Szilard P
a
l
l
fixed logging output in do
_
md_openmm
commit
|
commitdiff
|
tree
2010-06-03
Szilard Pa
l
l
Merg
e
br
a
nch 'master' of g
i
t
@
git
.
gromacs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
Merge branch 'master' of git@g
i
t
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
fi
x
ed Op
e
nMM interaction typ
e
check
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
minor fixes in ditribution files
commit
|
commitdiff
|
tree
2010-05-31
S
zilard Pall
M
e
r
g
e br
a
nch
'
master' of git@git
.
gromacs
.
o
r
g
:
grom
a
cs
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pa
l
l
Up
d
ated README and IN
S
TALL
f
iles
,
a
dded RE
A
DME-
G
PU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
F
i
xed t
y
p
o
in CMakeLists
fo
r
mdrun-gpu
commit
|
commitdiff
|
tree
2010-05-30
Szilard P
a
ll
OpenMM: ad
d
ed combination ru
l
e ch
e
ck, disabled restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilar
d
Pall
F
ix for MSVC
l
inking and release
-
build OpenMM pl
u
gin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Sz
i
lar
d
Pall
Fixed some compile
r
wa
r
inigs, minor bugs an
d
documen
t
ation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
Merge branch 'mast
e
r' of git@git
.
g
romacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-05-19
Szilard
Pall
fi
x
ed the PME to
l
e
r
a
nce "ad
j
ustment" for O
p
enMM
commit
|
commitdiff
|
tree
2010-05-12
Szilard
Pall
Merge br
a
nch 'ma
s
ter' of
git
@
git
.
grom
a
cs
.
org:
g
r
o
macs
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
Pal
l
Fix in
openmm_wrapper
w
hich makes i
t
w
ork with MSV
C
.
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ard Pall
f
ixed signal handling in md_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
P
a
ll
Merge branch 'master
'
of git@git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ard Pall
minor f
i
xes
in document
a
tion + some
d
ebug
g
ing co
d
e
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd Pall
added os-specific de
f
ines from cmak
e
required by m
e
mte
s
tG80
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pa
l
l
MSVC fix for
g
mx_para
l
l
e
l
_3
d
fft
.
c
commit
|
commitdiff
|
tree
2010-05-10
S
zilard Pall
only issue o
p
e
n
mm cons
t
rints wa
r
ning if constra
i
nsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge branch 'maste
r
' of git@g
i
t
.
gromacs
.
or
g
:
g
romacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pa
l
l
temporary
fix for compilatio
n
error with GMX_
O
PENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
M
e
rge branc
h
'
m
aster' of git@git
.
gromacs
.
o
r
g:groma
c
s
commit
|
commitdiff
|
tree
2010-05-07
S
zila
r
d
P
a
ll
Me
r
ge
branch
'm
a
st
e
r' of gi
t
@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
a
rd Pal
l
added groma
c
s file head
e
rs to the OpenMM-re
l
ated
files
commit
|
commitdiff
|
tree
next