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Fix compilation issues for AVX-512
2015-07-09
Erik L
i
nda
h
l
Mer
g
e "Merge re
l
e
as
e
-5-1 i
n
to mas
t
er"
commit
|
commitdiff
|
tree
2015-07-08
E
rik Lindahl
Move gene
r
alized
born to C
+
+
commit
|
commitdiff
|
tree
2015-07-08
Erik
Lindahl
Move FFT d
e
fines to use cm
a
k
edefine01
commit
|
commitdiff
|
tree
2015-07-08
Erik Lind
a
hl
Move endi
a
n, f
l
oa
t
format and XDR settings to cmak
e
define01
commit
|
commitdiff
|
tree
2015-07-08
Erik Lindahl
Cleanup and remo
v
e unused SSE2 ge
n
eralize
d
bor
n
co
d
e
commit
|
commitdiff
|
tree
2015-07-08
Er
i
k
L
indahl
Move
o
ld neighborsearch code to C++
commit
|
commitdiff
|
tree
2015-07-07
Erik
Lindahl
M
o
ve Q
M
MM source to C++
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
Fix
O
S
X openCL bu
i
l
d
s
commit
|
commitdiff
|
tree
2015-06-29
Erik
Lindahl
Fix bugs in gmx do
s
commit
|
commitdiff
|
tree
2015-06-29
E
r
ik Lindahl
Replace fu
n
ctions
d
eprec
a
t
e
d in OpenCL 1
.
2
commit
|
commitdiff
|
tree
2015-06-29
E
rik Lin
d
ahl
Fix bug re
m
o
v
ing multiple dihedrals in main rtp entries
commit
|
commitdiff
|
tree
2015-06-29
Erik Lin
d
ahl
Re
m
oved gmx pro
t
o
nate tool
commit
|
commitdiff
|
tree
2015-06-28
Erik Lindah
l
Fix
d
ouble precision reference SIMD and gcc bug
commit
|
commitdiff
|
tree
2015-06-28
Erik Lindahl
F
i
x one error and co
m
piler warnin
g
s with C
u
da & clang-3
.
6
commit
|
commitdiff
|
tree
2015-06-27
E
rik Lindah
l
Fix IBM VSX SIMD compiles wi
t
h xlc
commit
|
commitdiff
|
tree
2015-06-27
E
r
ik Lindah
l
Fix
s
ingle-
p
rec
.
s
o
ftc
o
re i
s
s
u
e in 4
.
6 branch
commit
|
commitdiff
|
tree
2015-06-27
Erik Lindahl
M
e
r
g
e
"Merge release-
5
-0 into
mast
e
r
"
commit
|
commitdiff
|
tree
2015-06-26
Erik
L
ind
a
h
l
Fix compile issues on K
c
ompu
t
er
commit
|
commitdiff
|
tree
2015-06-26
E
rik
Lindahl
Fix buffer siz
e
issues
i
n s
t
ring database
commit
|
commitdiff
|
tree
2015-06-25
Erik Lindahl
F
i
x e
d
r appendi
n
g and exact continu
a
tion
commit
|
commitdiff
|
tree
2015-06-25
E
rik Li
n
dahl
Fix binary exact
c
o
n
tinuation f
o
r t
r
ajectories
commit
|
commitdiff
|
tree
2015-06-24
E
r
ik Lindahl
Avo
i
d acces
s
ing hackblocks for
x
2top
commit
|
commitdiff
|
tree
2015-06-23
Erik Lindahl
Updated phys
i
cal constant
s
from N
I
S
T 2010 CO
D
ATA
commit
|
commitdiff
|
tree
2015-06-23
Erik Lindahl
Removed buggy
-
s
mooth hack i
n
hbond mo
d
u
l
e
commit
|
commitdiff
|
tree
2015-06-22
Erik Lin
d
ahl
F
i
x compiler
w
arnings i
n
c
m
a
k
e tests
commit
|
commitdiff
|
tree
2015-06-22
Erik
L
i
n
dahl
Use MPI_THREAD_FUNNELED
w
hen available
commit
|
commitdiff
|
tree
2015-06-22
E
rik
Lindahl
Fix
s
egf
a
u
l
t
in random access
X
TC s
e
arching
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
Fix argument order erro
r
for
g_rmsdist
commit
|
commitdiff
|
tree
2015-06-22
Erik Li
n
dahl
Fix
gro errors wi
t
h
PDB insertion code
s
commit
|
commitdiff
|
tree
2015-06-20
Er
i
k L
i
ndahl
Updated docs f
o
r
g_gyrate
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Fix
p
otential bu
f
fer overflow
i
n p
d
b2gmx
commit
|
commitdiff
|
tree
2015-06-20
Er
i
k Li
n
dahl
Disallow infin
i
t
e e
p
silon w
i
t
h
PME o
r
GB
.
commit
|
commitdiff
|
tree
2015-06-20
Erik Li
n
d
a
h
l
Remove G
M
X_M
A
X
_
MPI_T
H
READS
commit
|
commitdiff
|
tree
2015-06-20
Erik
L
ind
a
hl
Fix re
p
r
oducibil
i
ty bug in
f
ft5d
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Handle
m
ultidir/mul
t
isim
w
ith single argument
correc
t
ly
commit
|
commitdiff
|
tree
2015-06-19
Erik Lindahl
Fix incor
r
ect shif
t
with
g_densit
y
-
c
enter
commit
|
commitdiff
|
tree
2015-06-16
Erik Lind
a
hl
Fix CU
D
A v
e
rsio
n
info in NVML application clo
c
k warning
commit
|
commitdiff
|
tree
2015-06-16
Er
i
k Lindahl
Add memb
r
a
n
e em
b
e
dding docs
commit
|
commitdiff
|
tree
2015-06-16
E
rik Lindahl
Updat
e
d FFTW re
c
o
m
me
n
dation
s
i
n
i
nsta
l
l-guide
.
commit
|
commitdiff
|
tree
2015-06-16
E
r
ik Linda
h
l
Fix se
g
fault
w
ith t
i
m
er reset an
d
-nb
c
pu
commit
|
commitdiff
|
tree
2015-06-16
E
rik
L
indahl
Av
o
id warning
about affi
n
it
y
on Blue Gene, r
e
du
c
e warnings
commit
|
commitdiff
|
tree
2015-06-15
Erik
L
indahl
Fix OS X FFTW build fai
l
ures in
t
roduce
d
8
6
a77
2
commit
|
commitdiff
|
tree
2015-06-15
Eri
k
L
in
d
a
hl
Fixed SIMD detection
and flags com
m
o
n
f
o
r IBM archs
commit
|
commitdiff
|
tree
2015-06-07
Erik Linda
h
l
F
i
x out-of-r
a
nge integer
l
itera
l
s for th
r
e
efry
commit
|
commitdiff
|
tree
2015-06-04
Eri
k
Li
n
dahl
Mor
e
new quotes
commit
|
commitdiff
|
tree
2015-05-17
Erik Lind
a
h
l
Adde
d
h
a
c
k
s for SIMD
rv
e
c
/
lo
a
d
s
tore in linc
s
& bondeds
commit
|
commitdiff
|
tree
2015-03-30
Erik
Lindahl
Quote fro
m
Szilard's talk at
GT
C
2015
commit
|
commitdiff
|
tree
2015-03-25
E
ri
k
Lindahl
Quote from
J
e
n
-Hsun a
t
the NVIDIA GTC confe
r
ence 2015
commit
|
commitdiff
|
tree
2015-03-03
Erik Lindahl
Added single-accuracy
S
I
M
D double math funct
i
ons
commit
|
commitdiff
|
tree
2015-02-24
Erik Lindahl
Add
e
d AVX
-
512ER
S
IMD support
commit
|
commitdiff
|
tree
2015-02-24
Erik Lindahl
Ad
d
AVX-
5
12F
S
IMD suppor
t
commit
|
commitdiff
|
tree
2015-02-20
Erik Linda
h
l
Famous quote fro
m
Colleen McC
u
llough
commit
|
commitdiff
|
tree
2015-02-20
Erik Lindahl
Added two pop-
c
u
lture
q
u
o
tes from Andy W
a
rhol
.
commit
|
commitdiff
|
tree
2015-01-19
Er
i
k Lindahl
Added t
w
o
q
u
o
tes from Julie B
e
rnauer hab
i
li
t
a
tion
commit
|
commitdiff
|
tree
2014-09-30
Eri
k
L
i
n
d
ahl
Add Pow
e
r8
V
SX SIMD su
p
port
commit
|
commitdiff
|
tree
2014-09-30
Erik Lindahl
Avoid us
i
n
g
functio
n
calls in OpenMP dire
c
tives
commit
|
commitdiff
|
tree
2014-09-22
E
rik Lind
a
hl
More quotes
commit
|
commitdiff
|
tree
2014-09-20
Erik
L
i
ndahl
F
i
x RelW
i
thDebIn
f
o name bugs,
a
nd u
s
e
full optimization
.
commit
|
commitdiff
|
tree
2014-09-20
Erik Lindahl
A
d
ded a bunch of new and old quotes
.
commit
|
commitdiff
|
tree
2014-09-18
Erik Lin
d
ahl
Add Power
/
P
o
werPC VMX SIMD support
commit
|
commitdiff
|
tree
2014-09-11
Erik Lindah
l
E
n
able static
a
no
n
namespace work
a
round on pat
h
s
c
a
l
e
commit
|
commitdiff
|
tree
2014-09-10
E
r
i
k
Lindahl
Im
p
rove
p
e
rforman
c
e of MIC exp
o
n
e
ntial
commit
|
commitdiff
|
tree
2014-09-08
Er
i
k Lindahl
Add 64-bit AArch64 asi
m
d
S
I
M
D suppo
r
t
commit
|
commitdiff
|
tree
2014-09-08
E
r
i
k Lin
d
ahl
A
dd 32-bit ARM
Neon SIMD support
commit
|
commitdiff
|
tree
2014-09-04
Erik Lindahl
K
-
computer sp
e
cific modi
f
ications
commit
|
commitdiff
|
tree
2014-09-03
Erik Lindahl
Fixed sc_powe
r
==4
8
cr
a
sh
i
n singl
e
precision
commit
|
commitdiff
|
tree
2014-09-03
Erik Li
n
d
a
hl
Fixed preprocessor er
r
or for A
V
X_
1
28_FMA
simd
commit
|
commitdiff
|
tree
2014-09-02
E
r
ik Lin
d
ah
l
F
i
x
f
o
r
matt
i
ng of fatal errors in g_bar
commit
|
commitdiff
|
tree
2014-09-02
Eri
k
Lindahl
Fixed string var expansion in CMake due to
CMP0053
commit
|
commitdiff
|
tree
2014-08-31
Erik Lin
d
ahl
A
dded ne
g
ati
v
e
z
ero pre
p
rocessor constants
commit
|
commitdiff
|
tree
2014-08-20
Eri
k
Lindahl
Add _G
N
U_SOURCE=1 to find clone() with
P
G
I
commit
|
commitdiff
|
tree
2014-08-20
Er
i
k
L
inda
h
l
Fi
x
matrix po
i
n
ter de
r
e
ference
bug in update
.
c
commit
|
commitdiff
|
tree
2014-08-20
Erik Lindahl
Enable SI
M
D
r
e
g
i
s
ter calling convention w
i
th
g
mx_s
i
mdcall
commit
|
commitdiff
|
tree
2014-08-20
E
rik Lindahl
Add cycle count
e
rs
f
or 64-b
i
t ARM
commit
|
commitdiff
|
tree
2014-08-20
Erik Linda
h
l
Shorten plugin
c
onfiguration message
commit
|
commitdiff
|
tree
2014-08-17
E
rik L
i
nda
h
l
F
ix Portland compiler warnings
commit
|
commitdiff
|
tree
2014-08-10
Erik Lindahl
Make int
e
rn
a
l BLAS/LA
P
ACK mess
a
g
e
s
l
ess noisy
commit
|
commitdiff
|
tree
2014-08-10
E
ri
k
Lin
d
ahl
Improve Gromacs
po
r
tabilit
y
commit
|
commitdiff
|
tree
2014-08-10
Erik Li
n
dahl
Rep
l
ace
_
_LP64__
w
it
h
check for pointer size
commit
|
commitdiff
|
tree
2014-08-07
Erik Li
n
da
h
l
F
ix
p
ortab
i
lity
issue with ArrayRef initializer over
l
oading
commit
|
commitdiff
|
tree
2014-08-07
Erik
L
indahl
Changed names of test fil
e
s to av
o
id Fujitsu
c
ompiler bug
commit
|
commitdiff
|
tree
2014-08-01
Eri
k
L
indahl
Added tests
for denormal
a
nd u
n
de
r
f
l
ow for simd e
x
p(
)
commit
|
commitdiff
|
tree
2014-07-27
Er
i
k Lindahl
Fix selection of
xtc groups not starti
n
g at index 0
commit
|
commitdiff
|
tree
2014-07-13
Erik
Lindahl
Avoid c
l
ang/32 opti
m
i
z
at
i
on affecting IEEE endi
a
n d
e
tection
commit
|
commitdiff
|
tree
2014-07-11
Erik Lindahl
M
ake AVX
2
check more robu
s
t
commit
|
commitdiff
|
tree
2014-07-08
Erik Lin
d
ah
l
M
a
k
e IEEE754 check
m
ore
r
obust
commit
|
commitdiff
|
tree
2014-06-29
Er
i
k L
i
ndahl
F
i
xed free
e
nergy with
L
J-PME
commit
|
commitdiff
|
tree
2014-06-29
Erik
L
i
ndahl
Enable rtp angl
e
/dihe
d
ral e
n
tries n
o
t connected by
.
.
.
commit
|
commitdiff
|
tree
2014-06-28
Erik Lindahl
Fixed CMAP
generation for alanine dipeptide special
.
.
.
commit
|
commitdiff
|
tree
2014-06-27
Erik Lindahl
Always set
b
-state posr
e
s,
e
v
e
n
if identical to a-stat
e
commit
|
commitdiff
|
tree
2014-06-27
Erik Lindahl
Update
g
_density to handle
bilaye
r
s b
e
tter
commit
|
commitdiff
|
tree
2014-06-27
Erik Lindah
l
Fi
x
LJ
P
ME Lorentz-Be
r
thelot combinatio
n
rules
commit
|
commitdiff
|
tree
2014-06-27
E
r
ik
L
ind
a
hl
Improve P
D
B I
/
O (keep occupancy, b-fac
t
or
,
element)
commit
|
commitdiff
|
tree
2014-06-27
Er
i
k L
i
nda
h
l
A
void warnings about co
u
pli
n
g when free_energy=n
o
commit
|
commitdiff
|
tree
2014-06-25
E
r
ik Lindahl
Updated Amber GBSA param
e
ter
s
commit
|
commitdiff
|
tree
2014-06-25
Erik L
i
ndahl
Make
s
ource com
p
i
l
e under
L
inux X32 AB
I
commit
|
commitdiff
|
tree
2014-06-25
E
rik Li
n
dahl
Make it
harder for compiler to optimize away S
I
MD CMak
e
.
.
.
commit
|
commitdiff
|
tree
2014-06-24
Er
i
k Linda
h
l
Fi
x
ed G
R
OM
O
S
a
ssignme
n
t of
PR
O
-NH ter
m
in
u
s tor
s
ions
commit
|
commitdiff
|
tree
2014-06-24
E
rik Lindahl
Make
s
ure duplicates
b
o
n
deds are
s
et f
r
om h
a
ckblocks
commit
|
commitdiff
|
tree
2014-06-24
Erik
Li
n
da
h
l
Clea
n
up CMAP placement
i
n parameter list
commit
|
commitdiff
|
tree
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