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Added work-around for gcc bug in AVX intrinsincs formal parameter
2013-01-09
Erik Lindahl
Added work-
a
round for gcc b
u
g in
A
V
X
intrinsinc
s
f
ormal
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Erik Lindahl
Fi
x
ed GMXRC so
w
e are not polluting st
a
ndard shell
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Erik Lindahl
Merge "Th
r
e
a
d
-MPI
f
ixes fo
r
i
386
l
lvm & simplific
a
ti
o
n
.
.
.
commit
|
commitdiff
|
tree
2012-12-27
Erik Lindahl
Fixed e
r
r
or message for zwitterion residues
commit
|
commitdiff
|
tree
2012-12-21
E
rik Lindahl
Fixed g
m
x_cpuid not wor
k
ing on
non-x8
6
commit
|
commitdiff
|
tree
2012-12-20
E
rik Lindah
l
M
erge "
c
make:
a
dded op
t
ion t
o
disable
quotes" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Erik Li
n
dahl
Merg
e
"Small
f
ix for g_tu
n
e
_
pme" into release-
4
-6
commit
|
commitdiff
|
tree
2012-12-20
E
rik L
i
n
dahl
Merge "Fixes for
andersen te
m
perature control"
into
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Eri
k
Lind
a
hl
Merge "Fixes for expanded
e
nse
m
b
l
e and HREPEX
"
into
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Erik Lindahl
Fi
x
e
d
AVX2
5
6 double-pr
e
cis
i
on
k
ernels for gcc
commit
|
commitdiff
|
tree
2012-11-29
E
rik
Lindah
l
Dou
b
le
p
recision
A
VX-256 k
e
rnels
commit
|
commitdiff
|
tree
2012-11-29
Erik
L
in
d
ahl
Double precision AVX_128_F
M
A kernels
commit
|
commitdiff
|
tree
2012-11-28
Erik Lindahl
SS
E
4
.
1 double precision kerne
l
s
commit
|
commitdiff
|
tree
2012-11-28
Erik Li
n
dahl
Doubl
e
pr
e
cision SS
E
2
kernels
commit
|
commitdiff
|
tree
2012-11-28
Erik Linda
h
l
Po
r
ted
back some A
V
X2
5
6 optimizat
i
ons
t
o SSE2/
S
SE4
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Er
i
k Lindahl
128-bit AVX
kernels, wit
h
FMA instructions for Optero
n
.
.
.
commit
|
commitdiff
|
tree
2012-11-27
E
r
i
k
L
i
nd
a
hl
Nonbonded group kernels for
2
56-b
i
t AVX (Intel CPUs)
commit
|
commitdiff
|
tree
2012-11-27
Erik
L
indahl
Merge
"
Added a
f
finity supp
o
rt che
c
k, v
i
sibili
t
y
macros
.
.
.
commit
|
commitdiff
|
tree
2012-11-27
E
r
ik Lindahl
M
erg
e
"f
i
xed bug in nb
n
xn Ope
n
MP
non-bonde
d
force reduction
.
.
.
commit
|
commitdiff
|
tree
2012-11-26
Erik Lindahl
Merge "Use stat for gm
x
_
i
s_file
.
Fix
g
et_libdir with
.
.
.
commit
|
commitdiff
|
tree
2012-11-26
Erik
Lindahl
Merge "Ex
t
en
d
ed build information output
and referenc
e
.
.
.
commit
|
commitdiff
|
tree
2012-11-22
Erik
Linda
h
l
F
i
x
for icc 13 optimiza
t
ion-related issue and TIP4P
.
.
.
commit
|
commitdiff
|
tree
2012-11-22
Erik Lindahl
Implem
e
nt
e
d
R
MS-ba
s
ed force tolerance i
n
gm
x
c
h
eck
commit
|
commitdiff
|
tree
2012-11-22
Erik Lindahl
Fix
e
d
LJ-14 error in free energy
commit
|
commitdiff
|
tree
2012-11-19
Erik Lindahl
S
S
E4
.
1 s
i
ngle-prec
i
sion kernels
commit
|
commitdiff
|
tree
2012-11-16
Er
i
k
L
indah
l
SSE2
s
i
ngl
e
-
p
recision ke
r
ne
l
s
commit
|
commitdiff
|
tree
2012-11-13
Erik Li
n
dah
l
Removed s
o
me unn
e
cessary instructio
n
s, and fixe
d
a
.
.
.
commit
|
commitdiff
|
tree
2012-11-09
Er
i
k Lindahl
Removed ol
d
(now unused
)
blu
e
gene ke
r
nels
.
commit
|
commitdiff
|
tree
2012-11-09
Erik Lindah
l
R
e
moved unused old kernel generator
commit
|
commitdiff
|
tree
2012-11-09
E
rik Lin
d
a
hl
Remov
a
l of stale For
t
ran
/
Power6 ke
r
nels
commit
|
commitdiff
|
tree
2012-11-09
Er
i
k Lindahl
Removal of stale Fortran ke
r
nels
commit
|
commitdiff
|
tree
2012-11-08
Erik Lindahl
F
i
x
ed bug in the new
switch-modif
i
ed in
t
e
ractions in
.
.
.
commit
|
commitdiff
|
tree
2012-11-08
Erik Lindahl
A
l
low rcoulomb=rlistlong
f
or PM
E
with nstcalc
l
r=1
commit
|
commitdiff
|
tree
2012-11-08
Er
i
k Li
n
dahl
I
nfrastructure for
n
e
w group
k
ernels, and new C ker
n
e
l
s
commit
|
commitdiff
|
tree
2012-06-21
E
rik
L
inda
h
l
Fixed gcc inline assembly issue with PIC
a
nd older
.
.
.
commit
|
commitdiff
|
tree
2012-06-16
Erik Lind
a
h
l
New
CPU detection & AVX/SSE code,
r
emoved raw assembly
.
.
.
commit
|
commitdiff
|
tree
2011-09-16
Erik Lindahl
Merge "made allocation for LINCS with particle decom
p
osition
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Erik Linda
h
l
Int
r
o
d
u
c
ed different opt
i
ons for
pdb2gmx termin
i
introductio
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Erik L
i
ndahl
Fix
e
d incorrection Ambe
r
GS force fiel
d
(re
d
mi
n
e
#
72
8
)
commit
|
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|
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