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Fix PGI compiler flag
2015-08-05
E
rik
L
i
n
dahl
Fix PGI compiler f
l
ag
commit
|
commitdiff
|
tree
2015-07-17
Erik
L
indahl
Fi
x
incor
r
e
ct w
a
rni
n
g about only using single
core
commit
|
commitdiff
|
tree
2015-06-29
E
rik Lindahl
F
ix OS X openCL builds
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
Fix bugs
in
gmx
dos
commit
|
commitdiff
|
tree
2015-06-29
E
r
ik Lindahl
Replace functions d
e
pr
e
cated i
n
OpenCL
1
.
2
commit
|
commitdiff
|
tree
2015-06-29
Erik Lin
d
ahl
Fix bug r
e
moving multiple d
i
hedrals i
n
main
rtp entries
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
Removed gm
x
protonate t
o
ol
commit
|
commitdiff
|
tree
2015-06-28
E
rik
Lindah
l
Fix d
o
u
ble prec
i
sion r
e
fere
n
ce SI
M
D and g
c
c bug
commit
|
commitdiff
|
tree
2015-06-28
Eri
k
Li
n
dahl
Fix one error and
c
omp
i
ler
warnings with C
u
da
&
c
l
an
g
-
3
.
6
commit
|
commitdiff
|
tree
2015-06-27
Erik
Li
n
dah
l
Fix IBM VSX SIMD compiles w
i
th
x
lc
commit
|
commitdiff
|
tree
2015-06-27
Eri
k
Lindahl
F
i
x single-prec
.
softc
o
re
i
ssue in 4
.
6
branch
commit
|
commitdiff
|
tree
2015-06-27
Eri
k
Lindahl
Merge "Merge release-5-0 into
m
aster"
commit
|
commitdiff
|
tree
2015-06-26
Erik Lindahl
Fi
x
compile issues on K c
o
mputer
commit
|
commitdiff
|
tree
2015-06-26
Erik L
i
ndahl
Fix
buffer size
issu
e
s i
n
string dat
a
base
commit
|
commitdiff
|
tree
2015-06-25
Erik
Lindahl
Fix edr appending a
n
d exact
co
n
tinuation
commit
|
commitdiff
|
tree
2015-06-25
Erik Lindahl
Fix binar
y
exac
t
continuation for tra
j
ecto
r
ie
s
commit
|
commitdiff
|
tree
2015-06-24
Erik
L
indahl
Avo
i
d ac
c
es
s
i
n
g hack
b
locks for
x
2
t
op
commit
|
commitdiff
|
tree
2015-06-23
Erik Li
n
d
a
hl
Upda
t
ed phy
s
ica
l
c
onsta
n
ts f
r
om NIST 201
0
C
O
D
A
TA
commit
|
commitdiff
|
tree
2015-06-23
Erik Lindahl
Removed buggy
-
s
mooth hack in hbond module
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
Fix compiler warnings in
cmake tests
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
Use MPI_THREAD_FUNNELED when available
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
Fix segfault in random ac
c
ess
XTC searching
commit
|
commitdiff
|
tree
2015-06-22
Erik Li
n
d
a
hl
F
ix argument order err
o
r for g_
r
msdist
commit
|
commitdiff
|
tree
2015-06-22
E
rik Lind
a
hl
Fix gro errors w
i
t
h
PDB
i
nsertion codes
commit
|
commitdiff
|
tree
2015-06-20
Er
i
k L
i
n
d
ahl
Upda
t
ed docs for g_gyrate
commit
|
commitdiff
|
tree
2015-06-20
Erik
Lindahl
F
i
x potential bu
f
fer
overf
l
ow
i
n pdb2
g
m
x
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Disallow infi
n
ite e
p
silon
w
ith
P
ME
or GB
.
commit
|
commitdiff
|
tree
2015-06-20
Erik L
i
ndah
l
Re
m
ove G
M
X_MAX_
M
P
I
_THRE
A
DS
commit
|
commitdiff
|
tree
2015-06-20
Er
i
k Lindahl
Fi
x
reproduc
i
b
ility
bug in
f
f
t
5d
commit
|
commitdiff
|
tree
2015-06-20
E
r
ik
L
indahl
Han
d
l
e
multid
i
r/multisim wi
t
h
s
ingle argument correctly
commit
|
commitdiff
|
tree
2015-06-19
Erik Lind
a
hl
Fix inco
r
rect
s
hift with g_
d
e
n
sit
y
-center
commit
|
commitdiff
|
tree
2015-06-16
E
r
ik Linda
h
l
Fix CUDA ver
s
ion info in N
V
ML a
p
plication clock
warning
commit
|
commitdiff
|
tree
2015-06-16
Erik Lindahl
Add membrane embedding docs
commit
|
commitdiff
|
tree
2015-06-16
Erik Lindahl
Updated F
F
T
W recommend
a
tions i
n
insta
l
l
-
g
uide
.
commit
|
commitdiff
|
tree
2015-06-16
Erik Lindah
l
Fix segfault with tim
e
r
reset and -nb cpu
commit
|
commitdiff
|
tree
2015-06-16
Erik
Li
n
dahl
A
void warning a
b
out affinity on
Bl
u
e
Gene, r
e
duce wa
r
nings
commit
|
commitdiff
|
tree
2015-06-15
Erik Lindahl
F
i
x O
S
X FFT
W
b
uild f
a
i
lures introd
u
ced 86a7
7
2
commit
|
commitdiff
|
tree
2015-06-15
Er
i
k
L
i
ndahl
Fixe
d
SIMD detection and flags common for IBM archs
commit
|
commitdiff
|
tree
2015-06-07
Erik Lindahl
Fix out-of-rang
e
integer literals for thr
e
efry
commit
|
commitdiff
|
tree
2015-06-04
Erik Lin
d
ahl
More n
e
w quotes
commit
|
commitdiff
|
tree
2015-05-17
Erik Lindahl
Added hac
k
s for
S
I
M
D rvec/load store in
lin
c
s & bondeds
commit
|
commitdiff
|
tree
2015-03-30
Eri
k
Lin
d
ahl
Quot
e
f
r
o
m Szilard's talk
a
t GTC2015
commit
|
commitdiff
|
tree
2015-03-25
Erik Lin
d
a
hl
Quote from Jen-H
s
un at
the NVI
D
I
A
GTC c
o
nf
e
rence
2
015
commit
|
commitdiff
|
tree
2015-03-03
E
r
ik Lind
a
h
l
Added
s
i
ngle-accura
c
y SIMD double ma
t
h func
t
io
n
s
commit
|
commitdiff
|
tree
2015-02-24
E
r
i
k
Lin
d
a
h
l
Added AVX-512ER SIMD support
commit
|
commitdiff
|
tree
2015-02-24
Erik Lindahl
Add AVX
-
512F SIMD sup
p
or
t
commit
|
commitdiff
|
tree
2015-02-20
Er
i
k Lindahl
F
a
mous quote f
r
om Colleen McC
u
llough
commit
|
commitdiff
|
tree
2015-02-20
Erik
Lindahl
Add
e
d two pop-cultu
r
e
quotes fro
m
And
y
Warhol
.
commit
|
commitdiff
|
tree
2015-01-19
E
rik Lind
a
h
l
Added tw
o
q
uotes
from
J
ul
i
e
B
e
r
n
auer habi
l
itation
commit
|
commitdiff
|
tree
2014-09-30
Erik
Lin
d
ahl
Add Po
w
er8 VSX SIMD support
commit
|
commitdiff
|
tree
2014-09-30
Erik Lind
a
h
l
Avo
i
d using fun
c
tion
calls in Open
M
P direc
t
ives
commit
|
commitdiff
|
tree
2014-09-22
Erik
L
indahl
More q
u
ote
s
commit
|
commitdiff
|
tree
2014-09-20
Erik L
i
ndahl
Fix RelWithDebInfo name bugs, and use full opti
m
ization
.
commit
|
commitdiff
|
tree
2014-09-20
E
rik Lindah
l
Added a b
u
nch of new and old
q
uot
e
s
.
commit
|
commitdiff
|
tree
2014-09-18
Er
i
k
Lindahl
A
d
d Power/PowerPC VMX SIMD support
commit
|
commitdiff
|
tree
2014-09-11
Eri
k
L
i
ndahl
E
nable static
a
non
n
a
m
espace workarou
n
d on pathsc
a
le
commit
|
commitdiff
|
tree
2014-09-10
Erik Lindahl
Im
p
rove perfo
r
m
ance of MIC exponential
commit
|
commitdiff
|
tree
2014-09-08
Erik Lin
d
a
hl
Add 64-bit AArch64 asimd SIMD support
commit
|
commitdiff
|
tree
2014-09-08
Erik Lindahl
Ad
d
32-
b
it ARM
N
eon SIMD su
p
port
commit
|
commitdiff
|
tree
2014-09-04
E
r
ik
L
inda
h
l
K-computer s
p
ecifi
c
modificat
i
ons
commit
|
commitdiff
|
tree
2014-09-03
Erik
Lindahl
Fi
x
ed
s
c_power==
4
8 crash
in single precision
commit
|
commitdiff
|
tree
2014-09-03
Erik Lindahl
F
i
xed preproc
e
ssor erro
r
for AVX_128_FMA simd
commit
|
commitdiff
|
tree
2014-09-02
Erik
L
indahl
Fix formatti
n
g o
f
fatal errors
in
g_
b
ar
commit
|
commitdiff
|
tree
2014-09-02
Erik Lindahl
Fixed string var e
x
pans
i
on
i
n
C
M
ake due to
CMP
0
053
commit
|
commitdiff
|
tree
2014-08-31
Erik Lindahl
Added negativ
e
zero preprocessor constants
commit
|
commitdiff
|
tree
2014-08-20
Erik Lindahl
Add _GNU
_
SOURCE=1 to find clone() with
P
GI
commit
|
commitdiff
|
tree
2014-08-20
Er
i
k Lindahl
Fix matri
x
pointer dereference b
u
g in u
p
date
.
c
commit
|
commitdiff
|
tree
2014-08-20
Erik Lindahl
Enable SIMD register calli
n
g conve
n
tion with gmx_simdcall
commit
|
commitdiff
|
tree
2014-08-20
Erik
Li
n
dah
l
Ad
d
cycle counte
r
s
for 64-bit
A
RM
commit
|
commitdiff
|
tree
2014-08-20
Erik Lindahl
Sho
r
t
en plugin con
f
igura
t
ion message
commit
|
commitdiff
|
tree
2014-08-17
Erik Linda
h
l
Fix
Portla
n
d co
m
pi
l
er warnings
commit
|
commitdiff
|
tree
2014-08-10
E
r
ik Lindahl
Mak
e
int
e
rnal BLAS/LAPACK messages less noisy
commit
|
commitdiff
|
tree
2014-08-10
Erik Lindahl
Improve Grom
a
cs portability
commit
|
commitdiff
|
tree
2014-08-10
Erik Lindahl
Re
p
lace __
L
P
6
4__ with check fo
r
p
o
inter s
i
ze
commit
|
commitdiff
|
tree
2014-08-07
Erik Li
n
dahl
Fix p
o
r
t
a
bility issue with ArrayRef
i
nitializ
e
r overloading
commit
|
commitdiff
|
tree
2014-08-07
Erik Li
n
dahl
C
h
anged name
s
of test file
s
t
o
avoid F
u
j
itsu compiler
b
ug
commit
|
commitdiff
|
tree
2014-08-01
Erik Lindahl
Added test
s
fo
r
d
enormal and underflow for s
i
md exp()
commit
|
commitdiff
|
tree
2014-07-27
Erik Lind
a
hl
Fix sel
e
ct
i
on
of xtc groups not starting at index 0
commit
|
commitdiff
|
tree
2014-07-13
Erik
Lindahl
Av
o
id clang
/
32 optim
i
z
a
t
ion affecting IEEE e
n
d
i
an detection
commit
|
commitdiff
|
tree
2014-07-11
Erik
L
indahl
Make AVX2
c
heck more robus
t
commit
|
commitdiff
|
tree
2014-07-08
E
r
ik Lin
d
ahl
Make IEEE75
4
check more robust
commit
|
commitdiff
|
tree
2014-06-29
Erik Lindahl
Fixed free en
e
rgy with LJ-PME
commit
|
commitdiff
|
tree
2014-06-29
Eri
k
Lindahl
Enab
l
e rtp angle/dihedral e
n
t
ries not c
o
nnected
b
y
.
.
.
commit
|
commitdiff
|
tree
2014-06-28
Erik Lindahl
Fixed CMAP generation for alanine dip
e
ptide
s
p
ecial
.
.
.
commit
|
commitdiff
|
tree
2014-06-27
Erik Lindahl
Always set b-state
p
osres, even if identical to a-state
commit
|
commitdiff
|
tree
2014-06-27
Eri
k
L
i
ndahl
Updat
e
g_density to h
a
ndle bilayers
bet
t
er
commit
|
commitdiff
|
tree
2014-06-27
Erik Lindahl
Fix
LJP
M
E
Lorentz
-
Berthelot com
b
inati
o
n
rules
commit
|
commitdiff
|
tree
2014-06-27
Erik Lindahl
Improve PDB I/O (keep o
c
c
upancy,
b-factor, ele
m
ent)
commit
|
commitdiff
|
tree
2014-06-27
E
r
ik Lind
a
hl
Avo
i
d w
a
rning
s
about co
u
pli
n
g when free_en
e
rgy=no
commit
|
commitdiff
|
tree
2014-06-25
Er
i
k L
i
ndahl
Up
d
ate
d
A
mbe
r
G
BSA p
a
rameters
commit
|
commitdiff
|
tree
2014-06-25
Eri
k
L
i
ndahl
Make source
comp
i
le under L
i
nux X
3
2 ABI
commit
|
commitdiff
|
tree
2014-06-25
Erik Lindahl
Make it harder for
c
om
p
iler
to o
p
timize aw
a
y S
I
MD CM
a
k
e
.
.
.
commit
|
commitdiff
|
tree
2014-06-24
Erik Linda
h
l
Fixed GROMOS
assignment of PRO-NH
t
erminus torsions
commit
|
commitdiff
|
tree
2014-06-24
Er
i
k Lind
a
hl
Make sure duplicates bonde
d
s ar
e
set from hackbl
o
c
ks
commit
|
commitdiff
|
tree
2014-06-24
Erik Lindahl
Clean up CMA
P
pla
c
e
m
ent
in
p
arameter list
commit
|
commitdiff
|
tree
2014-06-24
Erik Lind
a
hl
Added multisimulat
i
on info to log/output
commit
|
commitdiff
|
tree
2014-06-24
Eri
k
Linda
h
l
Fixed recen
t
bug with disp
.
corr
.
a
nd
v
d
wtype
=
shi
f
t
commit
|
commitdiff
|
tree
2014-06-23
Erik Lindahl
Enable termi
n
u
s
-spe
c
ific atom
t
r
a
n
slation
commit
|
commitdiff
|
tree
2014-06-23
Erik
L
indahl
E
nable 4-le
t
t
er res
n
ame i
n
PDB ou
t
put, ke
e
ps more
p
dbinfo
.
commit
|
commitdiff
|
tree
2014-06-23
Erik
L
i
ndahl
Detect
n
on-fatal warnings w
h
en trying CFlags for s
o
urc
e
commit
|
commitdiff
|
tree
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