tsuyoshi38
tsuyoshi38
For me, both MULT_KERN and OMPFLAGS sound like system dependent (or job dependent) variables since I would like to change them depending on the efficiency of calculations, which usually depends...
I don't clearly understand the point. In our case using our supercomputers, we usually need to change the libraries and compiler flags depending on the choice of multiply kernels or...
In the last comment for the constraints related to ELPA ... For the constraint i) (block_size_r = block_size_c), judging from the following example shown in the page of ELPA, call...
I think I have finished introducing "Padding H and S matrices" to make the dimension of matrix a multiple of Block size. Note that if the block size is small...
(( no. of processes, block size, dimension of the H and S matrices )) 0. First, let me remind you that we have two sizes for the dimension of Hamiltonian...
I have made a branch f-proj_PHM_BlockSize. Here, the subroutine checking the condition mentioned above (condition 4) is made and put just after `matrix_size_padH` is calculated. At present, the part is...
At present... the parameters are defined in the following way. - proc_groups
Since we will work on #32 first, let me change the time from weeks to months.
I agree that removing OLDPS is okay. (As far as I remember, it was easy to make compatible with other pseudo potentials like the ones used for STATE with OLDPS....
CONQUEST stops with an error something like the error finding a neighbor atoms (or matrix elements). I thought it may be related to the fact that ghost atoms does not...