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Fix SIMD detection on new AMD AVX CPUs w/o fma
2016-04-04
Erik
L
indahl
Fix SIMD detecti
o
n
o
n n
e
w AM
D
AVX CP
U
s w/o
fm
a
commit
|
commitdiff
|
tree
2015-08-12
Eri
k
Lind
a
hl
P
r
e
v
e
n
t A
M
D OpenCL on OS X prior to
10
.
1
0
.
4
commit
|
commitdiff
|
tree
2015-08-11
Erik Lindahl
F
i
x
f
or processors
b
eing
o
ffline
on Arm
commit
|
commitdiff
|
tree
2015-08-06
Er
i
k Li
n
d
ahl
Avoid u
s
ing C+
+
11-speci
f
ic data() of
s
td::vector
commit
|
commitdiff
|
tree
2015-08-05
E
rik L
i
n
d
ahl
Fix PGI c
o
mpiler
flag
commit
|
commitdiff
|
tree
2015-07-17
Erik
L
indah
l
Fix incorrect warning a
b
o
u
t only using
s
ingle core
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
Fix OS X
o
penCL builds
commit
|
commitdiff
|
tree
2015-06-29
Er
i
k
Lindahl
Fix bugs in
g
mx dos
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
Replace functions de
p
reca
t
ed in OpenCL 1
.
2
commit
|
commitdiff
|
tree
2015-06-29
Erik Lind
a
hl
Fix bug r
e
moving mul
t
iple d
i
hedrals i
n
main rtp entri
e
s
commit
|
commitdiff
|
tree
2015-06-29
Erik Lind
a
hl
R
emoved gmx pro
t
onate tool
commit
|
commitdiff
|
tree
2015-06-28
E
rik Lindah
l
Fi
x
d
o
uble precisio
n
reference SI
M
D and gcc bug
commit
|
commitdiff
|
tree
2015-06-28
Erik Li
n
dahl
Fix one error and compiler warni
n
gs with Cuda & clang-3
.
6
commit
|
commitdiff
|
tree
2015-06-27
Erik Lindahl
F
ix
IB
M
V
S
X SIMD comp
i
les with
xlc
commit
|
commitdiff
|
tree
2015-06-27
Erik Lindahl
Fix si
n
gle-prec
.
s
o
ftcore i
s
s
u
e in 4
.
6 br
a
nch
commit
|
commitdiff
|
tree
2015-06-26
Erik Lindahl
Fix compile issues on K compute
r
commit
|
commitdiff
|
tree
2015-06-26
Eri
k
Lindahl
F
ix buffer size
i
ssues in
s
tri
n
g database
commit
|
commitdiff
|
tree
2015-06-25
Erik Lindahl
F
i
x e
d
r ap
p
ending and
e
xact
cont
i
nuation
commit
|
commitdiff
|
tree
2015-06-25
Erik L
i
ndahl
Fi
x
binary exact continu
a
t
ion for traj
e
c
t
o
ries
commit
|
commitdiff
|
tree
2015-06-24
Er
i
k Lindahl
Avoid accessing hackbl
o
cks for x
2
t
o
p
commit
|
commitdiff
|
tree
2015-06-23
Erik Lindahl
Updated physical
c
on
s
tants from N
I
ST 20
1
0 CODATA
commit
|
commitdiff
|
tree
2015-06-23
E
r
i
k
Lindahl
Removed bug
g
y
-
smooth hack in hbond module
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
F
ix c
o
mpiler warnings in cma
k
e
tests
commit
|
commitdiff
|
tree
2015-06-22
Erik Li
n
dahl
Use MPI_THREAD_FUNNELED when available
commit
|
commitdiff
|
tree
2015-06-22
Erik
Lindahl
Fix segfault in ra
n
dom access XTC se
a
rchi
n
g
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
F
ix argument order error
f
or g_rmsdist
commit
|
commitdiff
|
tree
2015-06-22
Er
i
k Lin
d
ahl
Fi
x
gro errors
w
ith PDB
i
n
s
ertion codes
commit
|
commitdiff
|
tree
2015-06-20
E
rik Lindahl
Updated
do
c
s for g_gyrate
commit
|
commitdiff
|
tree
2015-06-20
E
rik Lin
d
ahl
F
ix potential buf
f
er overflow in p
d
b
2
gmx
commit
|
commitdiff
|
tree
2015-06-20
Erik Lind
a
hl
Disallo
w
in
f
i
n
ite epsilon with PME or GB
.
commit
|
commitdiff
|
tree
2015-06-20
E
r
ik Lindahl
R
emove
GMX_MAX_MP
I
_THREADS
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Fix repro
d
u
cibility b
u
g in fft5
d
commit
|
commitdiff
|
tree
2015-06-20
Erik
Lindahl
Handl
e
multidir/mu
l
tisim with s
i
ngl
e
argument correctly
commit
|
commitdiff
|
tree
2015-06-19
Erik Linda
h
l
Fix inco
r
re
c
t
shift with g_de
n
si
t
y
-center
commit
|
commitdiff
|
tree
2015-06-16
Erik Lind
a
hl
Fix
C
UDA version info in NV
M
L
a
pp
l
ic
a
tion
c
lock
w
arning
commit
|
commitdiff
|
tree
2015-06-16
Erik Lindahl
Ad
d
memb
r
ane
e
mbeddi
n
g docs
commit
|
commitdiff
|
tree
2015-06-16
Eri
k
Lindahl
Updated FFTW recommendations in instal
l
-guid
e
.
commit
|
commitdiff
|
tree
2015-06-16
Erik Lindahl
F
ix segf
a
ult wit
h
ti
m
er reset and -nb cpu
commit
|
commitdiff
|
tree
2015-06-16
Erik Lindahl
Avoid
warning about affi
n
ity on
Bl
u
e Gene, reduce wa
r
nin
g
s
commit
|
commitdiff
|
tree
2015-06-15
E
rik
L
indahl
Fix
OS X FFTW bu
i
ld
f
a
ilures in
t
r
o
duced 86a772
commit
|
commitdiff
|
tree
2015-06-15
Erik L
i
ndahl
Fi
x
ed SIMD det
e
ctio
n
and flag
s
commo
n
for IB
M
archs
commit
|
commitdiff
|
tree
2015-06-07
Erik L
i
ndahl
Fix out
-
of-rang
e
integer literals fo
r
th
r
eefry
commit
|
commitdiff
|
tree
2015-06-04
Eri
k
Li
n
d
ah
l
Mor
e
new quot
e
s
commit
|
commitdiff
|
tree
2015-05-17
E
r
ik Lindahl
Added hacks fo
r
SIMD
rvec
/
load store in lincs & bondeds
commit
|
commitdiff
|
tree
2015-03-30
Erik
L
i
ndahl
Quote f
r
om Szilard's
t
a
l
k a
t
GT
C
201
5
commit
|
commitdiff
|
tree
2015-03-25
Erik Lind
a
hl
Quote from
J
e
n-Hsun at
t
h
e
NVIDIA GTC co
n
ference 2015
commit
|
commitdiff
|
tree
2015-03-03
Erik
L
i
n
dahl
Added
singl
e
-accuracy
S
IMD double math
f
unctions
commit
|
commitdiff
|
tree
2015-02-24
Erik Lindahl
Added AVX-512
E
R
S
I
M
D
s
u
pport
commit
|
commitdiff
|
tree
2015-02-24
E
r
ik Lindahl
Add AVX-512F SIMD suppor
t
commit
|
commitdiff
|
tree
2015-02-20
Erik Lindahl
Fa
m
ous qu
o
te
fro
m
C
olleen McCullough
commit
|
commitdiff
|
tree
2015-02-20
Erik Lindahl
A
dded two pop-cultu
r
e quot
e
s from Andy Warhol
.
commit
|
commitdiff
|
tree
2015-01-19
E
r
ik Lindahl
Ad
d
ed two q
u
ote
s
f
r
om Julie Bernauer habilitation
commit
|
commitdiff
|
tree
2014-09-30
E
r
ik
Lindahl
Add Po
w
er8 VSX SIMD support
commit
|
commitdiff
|
tree
2014-09-30
Erik Lindahl
A
void using func
t
ion call
s
in
Ope
n
MP
directives
commit
|
commitdiff
|
tree
2014-09-22
Erik Lindahl
Mo
r
e qu
o
tes
commit
|
commitdiff
|
tree
2014-09-20
E
r
ik Li
n
dahl
F
i
x RelWith
D
ebIn
f
o name bugs, and
u
s
e full opt
i
m
i
zation
.
commit
|
commitdiff
|
tree
2014-09-20
E
r
ik
Li
n
dahl
Add
e
d a bu
n
ch of
new and old quotes
.
commit
|
commitdiff
|
tree
2014-09-18
Erik Lindahl
Add
Power/Pow
e
r
PC V
M
X SIMD
support
commit
|
commitdiff
|
tree
2014-09-11
E
r
i
k Lindahl
Enable static anon
namespace workaround on pat
h
scale
commit
|
commitdiff
|
tree
2014-09-10
Erik Lindahl
Imp
r
o
v
e
performa
n
ce of
MIC exponenti
a
l
commit
|
commitdiff
|
tree
2014-09-08
Erik Lindahl
Add
64-bit
A
A
rch64 as
i
md SIM
D
sup
p
ort
commit
|
commitdiff
|
tree
2014-09-08
Erik L
i
ndahl
Add 32-bi
t
A
R
M Neon S
I
MD suppor
t
commit
|
commitdiff
|
tree
2014-09-04
Erik Lindahl
K-com
p
uter
s
pecific modifications
commit
|
commitdiff
|
tree
2014-09-03
E
rik Lin
d
a
h
l
F
ixed sc_po
w
er==48 crash in sin
g
le precision
commit
|
commitdiff
|
tree
2014-09-03
Erik Lindahl
Fixed prep
r
ocessor
error for AVX_1
2
8_F
M
A simd
commit
|
commitdiff
|
tree
2014-09-02
Erik
L
indahl
Fix
forma
t
tin
g
of
fatal errors in g_bar
commit
|
commitdiff
|
tree
2014-09-02
Erik Linda
h
l
Fixed stri
n
g
va
r
expansion in
C
Mak
e
due
t
o CMP0053
commit
|
commitdiff
|
tree
2014-08-31
Erik Lind
a
hl
Added n
e
g
a
tive zer
o
p
reprocessor c
o
n
s
tants
commit
|
commitdiff
|
tree
2014-08-20
Erik Lindah
l
Add _GNU_SOURCE=1
t
o
find clone() with PGI
commit
|
commitdiff
|
tree
2014-08-20
Erik L
i
n
dahl
Fix matr
i
x pointer
d
eref
e
re
n
c
e bug in update
.
c
commit
|
commitdiff
|
tree
2014-08-20
Eri
k
L
indahl
E
n
a
ble
S
IMD register calling c
o
nvention with gmx_simdcall
commit
|
commitdiff
|
tree
2014-08-20
Erik L
i
ndahl
A
d
d
c
ycle
c
oun
t
ers for
6
4-
b
it
A
RM
commit
|
commitdiff
|
tree
2014-08-20
E
r
ik Lind
a
hl
Shorten plugin configuration m
e
ssage
commit
|
commitdiff
|
tree
2014-08-17
Erik Li
n
dahl
F
i
x Portland c
o
m
p
i
l
er warnings
commit
|
commitdiff
|
tree
2014-08-10
Erik
L
i
n
dahl
Make internal BL
A
S/LAPAC
K
messages less noisy
commit
|
commitdiff
|
tree
2014-08-10
E
rik
L
indahl
Improve Grom
a
cs
p
o
r
tability
commit
|
commitdiff
|
tree
2014-08-10
Erik Lin
d
a
h
l
R
e
pl
a
ce
__LP64__ with ch
e
ck for
p
ointer size
commit
|
commitdiff
|
tree
2014-08-07
Erik Lindah
l
F
ix porta
b
ility issue wit
h
A
r
rayRef initializer
overloading
commit
|
commitdiff
|
tree
2014-08-07
Erik
Li
n
dahl
C
hanged nam
e
s of test
f
iles to avoid Fujitsu compiler bug
commit
|
commitdiff
|
tree
2014-08-01
Erik Lind
a
hl
Added tests for denormal and u
n
derflow f
o
r
simd exp()
commit
|
commitdiff
|
tree
2014-07-27
Er
i
k Lindahl
Fix selec
t
ion of xt
c
groups not starting
a
t ind
e
x
0
commit
|
commitdiff
|
tree
2014-07-13
Er
i
k Lindahl
Avoid clang/32 optimization a
f
fect
i
ng IEEE
endia
n
detection
commit
|
commitdiff
|
tree
2014-07-11
Erik Lind
a
hl
Make A
V
X2
c
heck
m
ore rob
u
s
t
commit
|
commitdiff
|
tree
2014-07-08
E
r
ik Lindahl
Make IEEE754 check more
robust
commit
|
commitdiff
|
tree
2014-06-29
Er
i
k Li
n
da
h
l
Fixed fr
e
e e
n
ergy wi
t
h LJ-PME
commit
|
commitdiff
|
tree
2014-06-29
Erik Lindahl
Enable rt
p
angle/dihedral en
t
ri
e
s not c
o
nnec
t
ed by
.
.
.
commit
|
commitdiff
|
tree
2014-06-28
Erik
L
indahl
Fixed CMAP generation for alanine dipeptide special
.
.
.
commit
|
commitdiff
|
tree
2014-06-27
Eri
k
L
i
ndahl
Alw
a
y
s set b-sta
t
e
posres, even if identical to a
-
s
tate
commit
|
commitdiff
|
tree
2014-06-27
Erik Lindahl
Upda
t
e g
_
dens
i
ty to han
d
le
b
ilaye
r
s bette
r
commit
|
commitdiff
|
tree
2014-06-27
E
r
i
k
L
i
ndahl
Fix LJPME Lore
n
t
z
-Be
r
th
e
l
o
t
c
o
m
bination
r
ules
commit
|
commitdiff
|
tree
2014-06-27
Eri
k
Lind
a
h
l
Improve PDB I/
O
(keep occupa
n
cy, b-factor, element)
commit
|
commitdiff
|
tree
2014-06-27
E
rik Lindahl
A
void warnin
g
s a
b
out
c
ou
p
ling when free_en
e
rgy=no
commit
|
commitdiff
|
tree
2014-06-25
Erik Lindahl
Updated Amber GBSA parame
t
e
rs
commit
|
commitdiff
|
tree
2014-06-25
E
r
ik Lindahl
Make source compil
e
under Linux X
3
2 ABI
commit
|
commitdiff
|
tree
2014-06-25
Eri
k
Linda
h
l
Make it hard
e
r for comp
i
ler to optimize
away SIMD CMake
.
.
.
commit
|
commitdiff
|
tree
2014-06-24
Erik Lindahl
Fixed G
R
OMOS assi
g
nment of P
R
O
-
NH term
i
n
u
s torsions
commit
|
commitdiff
|
tree
2014-06-24
Erik
Lindahl
Make sure duplica
t
es
b
onded
s
are set from h
a
ck
b
locks
commit
|
commitdiff
|
tree
2014-06-24
E
r
ik Lindahl
Cl
e
an up
C
MA
P
p
l
acement
in parame
t
e
r
l
i
s
t
commit
|
commitdiff
|
tree
2014-06-24
Erik Li
n
dahl
Add
e
d multisimulation info
to log/output
commit
|
commitdiff
|
tree
2014-06-24
Erik
Lindahl
Fixed re
c
ent bug with
disp
.
corr
.
a
n
d vdwty
p
e=s
h
ift
commit
|
commitdiff
|
tree
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