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Fixed gromacs wrapper fot _mm_castsi128_ps intrinsic instruction
2009-12-04
Erik
Lind
a
hl
Fixed
g
roma
c
s wrapper
fot _mm_castsi128_ps
intrinsic
.
.
.
commit
|
commitdiff
|
tree
2009-12-03
Erik Lindahl
Committed
a
l
l-an
g
le-constraint fix from
Peter Eastman
.
.
.
commit
|
commitdiff
|
tree
2009-12-03
Erik Lin
d
a
hl
Ena
b
le
d
separate PME nod
e
s(
t
h
r
eads) with thread
-
m
p
i
.
.
.
commit
|
commitdiff
|
tree
2009-12-02
Erik Linda
h
l
M
erge
b
r
anch 'mas
t
er' of gi
t
.
groma
c
s
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-12-02
Erik
L
i
n
d
a
hl
Fixed mutex
d
e
adlock
i
n gmx_f
s
eek
commit
|
commitdiff
|
tree
2009-10-21
Erik Lindahl
Merge branch
'master' of
git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-10-21
Erik
Li
n
dahl
Removed charmm
f
iles from git for now, since it wont
.
.
.
commit
|
commitdiff
|
tree
2009-10-08
E
r
ik Lindahl
Fixed MS
V
C build
errors
commit
|
commitdiff
|
tree
2009-10-08
Erik Lindahl
Merge branch
'
master' of git
.
gro
m
acs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-10-08
Erik Lindahl
Up
d
ated SSE2
i
nt
r
insics in pr
e
pa
r
ation for n
e
w
kernels
.
commit
|
commitdiff
|
tree
2009-10-07
Erik Lindahl
Fixe
d
memory leaks in surface code
commit
|
commitdiff
|
tree
2009-10-06
Erik Lind
a
hl
Removed extra cop
y
of al
l
-vs-a
l
l kernels
that was
p
icked
.
.
.
commit
|
commitdiff
|
tree
2009-10-05
Erik Lindahl
Moved static variables in pm
e
.
c into gmx_pme
_
t s
t
ructure
.
.
.
commit
|
commitdiff
|
tree
2009-09-27
Erik Lin
d
ahl
Added auto-dete
c
tion
f
or 64bit
s
upport o
n
macs
commit
|
commitdiff
|
tree
2009-09-27
Er
i
k Linda
h
l
Enabled file truncation
o
n w
i
ndows
commit
|
commitdiff
|
tree
2009-09-27
Erik Lindahl
Fixe
d
n
on-
p
ortable POS
I
X
r
outi
n
es to wor
k
u
nder windows
commit
|
commitdiff
|
tree
2009-09-27
Erik
L
indahl
Fixed more hea
d
ers for M
S
VC cmak
e
builds
commit
|
commitdiff
|
tree
2009-09-27
Er
i
k Lindahl
Fixed he
a
der for cmake sse2
allvsall kernels
commit
|
commitdiff
|
tree
2009-09-27
E
rik L
i
ndahl
Added dummy varia
b
le
s
to avoid warnings abou
t
empty
.
.
.
commit
|
commitdiff
|
tree
2009-09-27
Erik Lindahl
D
i
sable
d
pr
e
stepping in gmx_tune_
p
me, since
i
t
relies
.
.
.
commit
|
commitdiff
|
tree
2009-09-27
E
rik Lin
d
ahl
Added files to re-ena
b
le cmake builds wi
t
h all-vs
-
all
.
.
.
commit
|
commitdiff
|
tree
2009-09-25
Erik Lind
a
hl
Merge b
r
anch 'master' of git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2009-09-25
Erik L
i
ndahl
Fixed invsqrt->gmx_in
v
sqrt
for a s
i
ngle ro
u
tine
commit
|
commitdiff
|
tree
2009-09-09
Erik Lindahl
Fixed SS
E
3 instructio
n
wa
r
ning
commit
|
commitdiff
|
tree
2009-09-09
Erik L
i
nda
h
l
Fix for double precision S
S
E2 code with ge
n
born (compile
.
.
.
commit
|
commitdiff
|
tree
2009-09-09
Erik Lindahl
Merge branch 'master' of
g
it
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-09-09
Erik Linda
h
l
New all-vs-all loops and workin
g
SSE gb kernels+radii
.
.
.
commit
|
commitdiff
|
tree
2009-08-31
Erik
L
indahl
Merge branch
'
master' of
g
it@git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-31
Erik Li
n
d
a
hl
Changes to have
G
B detect 1-
2
,
1
-3,
1
-4 pa
r
a
ms from
e
xclus
i
ons
commit
|
commitdiff
|
tree
2009-08-30
Erik L
i
ndahl
I
nitial
al
l
-vs-all kernels
.
S
i
ngle precision
S
S
E w
o
r
k
ing
.
commit
|
commitdiff
|
tree
2009-08-30
Eri
k
Lin
d
a
hl
Merge branc
h
'
master' of git@git
.
groma
c
s
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-08-30
Erik
Lindahl
Fix
e
d ve
l
ocity ou
t
p
u
t at first step on
n
o
des>1 wi
t
h
.
.
.
commit
|
commitdiff
|
tree
2009-08-26
Erik Lind
a
hl
Changed invsq
r
t() ->
g
mx_invsqrt() in yet another file
.
.
.
commit
|
commitdiff
|
tree
2009-08-26
Erik Lindahl
Mer
g
e
b
ranch
'
mast
e
r' of gi
t
@git
.
g
r
omac
s
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-08-26
Erik Lindahl
Changed invsqr
t
(
) to gmx_i
n
vsq
r
t() to accuracy loss
.
.
.
commit
|
commitdiff
|
tree
2009-08-08
Erik Lindahl
Fix
e
d append
error for la
r
g
e
f
iles (64-bit offsets)
commit
|
commitdiff
|
tree
2009-07-11
Erik Lind
a
hl
Removed
c
ommuni
c
ation che
c
k in for
P
D
vsite, buggy
.
commit
|
commitdiff
|
tree
2009-07-11
Erik Lindahl
Rewrote vsite
PD com
m
u
n
ication to o
n
ly
requi
r
e one
.
.
.
commit
|
commitdiff
|
tree
2009-07-10
E
rik Lindahl
F
i
xed
i
nco
r
rect forces on vsites spread over nodes
.
.
.
commit
|
commitdiff
|
tree
2009-07-10
Er
i
k L
i
ndahl
F
ixed PD linc
s
communic
a
t
i
on it
e
ration
s
tep - now x
.
.
.
commit
|
commitdiff
|
tree
2009-07-10
Erik Lin
d
ahl
Merge branch
'
m
a
s
ter' of git@git
.
g
r
om
a
cs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-07-10
Erik Lin
d
a
hl
Fixed bug in PD l
i
ncs i
m
p
l
emented yesterday -
we were
.
.
.
commit
|
commitdiff
|
tree
2009-07-10
E
r
ik Lindahl
F
i
xed p
a
rall
e
l vsited wit
h
PD to work with local
topologi
e
s
commit
|
commitdiff
|
tree
2009-07-09
Erik Lind
a
hl
Forgo
t
o
ne change to m
d
.
c necessa
r
y for P
D
constraints
commit
|
commitdiff
|
tree
2009-07-09
Erik Lindah
l
Support fo
r
parallel (
n
o
de-cro
s
sin
g
) co
n
st
r
ai
n
ts wit
h
.
.
.
commit
|
commitdiff
|
tree
2009-07-09
Erik Lindahl
Fixed para
l
lel
bug (P
D
,
p
r
o
b
ably
not
D
D) w
h
ere
t
h
e
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Erik Lin
d
ahl
Fixed xdr u
c
har write error that messed up resi
d
ue
.
.
.
commit
|
commitdiff
|
tree
2009-07-05
E
r
ik Lindahl
Ad
d
ed separate
gb_epsil
o
n t
o
nonbon
d
ed kernels
commit
|
commitdiff
|
tree
2009-06-29
Er
i
k Lindah
l
A
d
ded autoco
n
f
.
libs and
.
deps
to
g
itignore fi
l
es
commit
|
commitdiff
|
tree
2009-06-29
Erik Lindahl
Added support
fo
r
gettimeofday(
)
w
hen available to
.
.
.
commit
|
commitdiff
|
tree
2009-06-05
Erik
L
indahl
Removed warni
n
g ab
o
ut
t
his b
e
i
ng final CVS
v
ersi
o
n
.
.
.
commit
|
commitdiff
|
tree
2009-06-05
Erik Lin
d
ahl
Removed CVS-speci
f
ic entries from Cmake co
n
fig files
.
commit
|
commitdiff
|
tree
2009-06-05
Erik Lind
a
h
l
Removed fil
e
s no longer us
e
d afte
r
the cvs->git mov
e
.
commit
|
commitdiff
|
tree
2009-06-05
Erik Lindahl
Versi
o
n bump
in CMa
k
eLists
.
txt to test git c
o
mmit
e
mails
commit
|
commitdiff
|
tree
2009-06-05
Erik Lindahl
Removed
old
u
nu
s
ed wi
n
do
w
s config file (we
n
ow us
e
.
.
.
commit
|
commitdiff
|
tree
2009-06-05
Erik Lindahl
v
e
rsi
o
n b
u
mp in
confi
g
ure
.
ac
commit
|
commitdiff
|
tree
2009-06-04
E
r
ik Li
n
dahl
Added files for git to ignore
commit
|
commitdiff
|
tree
2009-06-04
Erik Lindahl
Restored a real version s
t
r
i
ng afte
r
the cvs->git mo
v
e
commit
|
commitdiff
|
tree
2009-06-04
Eri
k
L
i
ndahl
R
e
moved
I
d t
a
gs from mast
e
r branc
h
since the
y
w
ill
.
.
.
commit
|
commitdiff
|
tree