Hi Matt,
The motivation is to calculate density matrix in electronic structure
calculations.
The density matrix can be obtained recursively iterations (known as density
matrix purification). An example is
X_{n+1} = 3 X_n^2 - 2 X_n^3
Density matrix has property of off diagonal decay.
The primary issue is not the include statement - that just gives a
different error message:
undefined reference to `__pow_finite'
vs
undefined reference to `pow'
The issue is:
static void _check_pow() { double x = 0,y ; y = pow(x, x);
vs
double _check_pow(double x ) { return pow(x, x);
i.e
1. re
On Thu, Sep 3, 2015 at 8:11 PM, Barry Smith wrote:
>
> You might also consider the MatNest object. It's job is to help
> construct matrices that have a natural set of sub matrices such as yours.
> Also look at MatGetLocalSubMat()
>
OK, thanks for the pointers.
Best regards,
David
>
> > O
Satish,
Well the classic model that Matt inherited from GNU that does not include
the appropriate include files but instead makes up some prototype in the test
file and looks for symbols in the resulting .o is not IMHO good anyways and I'd
like to see it eventually totally eliminated so h
Ok - the issue here is:- '-O3 -ffast-math' inlines/optimzies out the
math code in configure test [so -lm isn't needed/required here]. But
the code in metis [and petsc] library sources isn't inlined out
[requiring -lm].
Current configure behavior <<<
$ cat conftest.c
double p
You might also consider the MatNest object. It's job is to help construct
matrices that have a natural set of sub matrices such as yours. Also look at
MatGetLocalSubMat()
Barry
> On Sep 3, 2015, at 6:52 PM, David Knezevic wrote:
>
> I need to add Lagrange multipliers to an existing syst
On Thu, Sep 3, 2015 at 7:52 PM, David Knezevic
wrote:
> I need to add Lagrange multipliers to an existing system of equations,
> which requires me to expand the matrix.
>
> I figured I would allocate a new larger matrix with the appropriate
> non-zero structure, and then copy the entries from the
On Thu, Sep 3, 2015 at 6:55 PM, Ghosh, Swarnava
wrote:
> Hi,
>
> I want to do the following:
> Matrices DM1, DM2 and DM3 (MPIAIJ type) have the same non zero structure.
> I want to multiply DM1*DM2=DM3. BUT the resulting matrix should preserve
> the initial non-zero pattern that was set to it.
I need to add Lagrange multipliers to an existing system of equations,
which requires me to expand the matrix.
I figured I would allocate a new larger matrix with the appropriate
non-zero structure, and then copy the entries from the smaller matrix over
to it. But I was wondering if there might be
Hi,
I want to do the following:
Matrices DM1, DM2 and DM3 (MPIAIJ type) have the same non zero structure. I
want to multiply DM1*DM2=DM3. BUT the resulting matrix should preserve the
initial non-zero pattern that was set to it. Basically multiplication should
not create new non-zero location
Look at DMCreateMatrix_DA_2d_MPIAIJ (or the 3d version if working in 3d)
You need to copy this routine and add whatever additional preallocation
information you need. Then call DMDASetGetMatrix() so that the DM will use
your routine to create the matrix for you.
Barry
> On Sep
Hm - this is weird.
>>>
TESTING: checkMath from
config.libraries(config/BuildSystem/config/libraries.py:251)
Check for sin() in libm, the math library
Executing: mpicc -o /tmp/petsc-AXFj8c/config.libraries/conftest-Wall
-Wwrite-strings -Wno-strict-aliasing -Wno-unknown-pragmas -
Hi,
I am using DMCreateMatrix to create matrix from a existed DM object and
defined stencil.
In my code, boundary nodes need to involve many inner nodes, thus matrix
rows corresponding to boundary nodes are almost dense. How can I tell
petsc that those rows need to be preallocated with more entri
> On Sep 3, 2015, at 10:11 AM, Xujun Zhao wrote:
>
> Hi all,
>
> I need random Vectors with both Gaussian distribution and uniform
> distribution. I notice that PETSc has VecSetRandom() function. I am curious
> what types of distribution this function can generate. Thank you for your
> answe
Hi all,
I need random Vectors with both Gaussian distribution and uniform
distribution. I notice that PETSc has VecSetRandom() function. I am curious
what types of distribution this function can generate. Thank you for your
answer.
Xujun
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