ABINIT Discussion Forums

Yep, it seams i took too much beer that day) Moreover, in attempt to use OpenBlas - alternative linalg lib, I actually found a bug. It fixed now.
https://github.com/xianyi/OpenBLAS/issues/355

So, thanx, and best wishes!
Magniff

Hello there) Currently I am experiencing some difficulties with compiling abinit 7.6 under raspberry pi (yep, i do understand that this task is practically useless). The problem is that RPi has an ARM11 like cpu, which based on deprecated armv6 arch (v7 arch supported just great, no problem with ARM...

ok, now the error message is /usr/bin/ld: warning: libcudart.so.4, needed by /usr/local/cuda/lib64/libcublas.so, not found (try using -rpath or -rpath-link) but i found link to libcudart.so.4 in /usr/local/cuda/lib64/ and /usr/local/cuda/lib/ folders maby i need to use some special key while running...

Hello there, friends I am currently trying to build MAGMA lib, which, i believe, provides the gs gpu routines; so i got a problem (i know, that magma is not your product, but i hope some of you compiled it correctly) so that is my make file: # GPU_TARGET specifies for which GPU you want to compile M...

I have exit code 11 on centos, so jzwanzig if you figure out by yourself what does it mean please post it here;

Hello, dear friends; I am trying to calculate phonon spectra in gamma and get an raman tensor of GaAs nanowire so firstly i performed an optimization of structure, and final structure seemed fine; then i took code from the tnlo tutor and modified for my task #Definition of lattice parameters #******...

Hello, dear friends; I am trying to calculate phonon spectra in gamma and get an raman tensor of GaAs nanowire so firstly i performed an optimization of structure, and final structure seemed fine; then i took code from the tnlo tutor and modified for my task #Definition of lattice parameters #******...

thanx a lot, it helped;
sorry for repost;
all the best;

i get it, thanx;
all the best,
Magniff

It kinda strange, because when i set nband 16 it runs correctly, but nband 17 or 15 are not correct... And yes, for 4h structure with 8 atoms in prim cell it should be rfatpol4 1 8 instead of rfatpol4 1 2 and so on, my bad. Please, someone, explain me that confusing situation about nband value. Best...

Dear friends, i am currently trying to run gamma phonon calculation in 4h GaAs, so according the nlo tutorial i made following input # Linear and nonlinear response calculation for AlAs # Perturbations: electric fields & atomic displacements # (M. Veithen, 21.4.2005) #Definition of lattice param...

Dear friends, i am currently trying to run gamma phonon calculation in 4h GaAs, so according the nlo tutorial i made following input # Linear and nonlinear response calculation for AlAs # Perturbations: electric fields & atomic displacements # (M. Veithen, 21.4.2005) #Definition of lattice param...

thanx for reply, mancini
so, as i understood there is not any way to accelerate gs calculation in current version

sorry for repost, my bad(
now i compiled abinit with cuda
please check this
viewtopic.php?f=3&t=1116&e=0

Dear friends, I compiled abinit 6.6.3 with mpi (mpich2) and cuda support, everything seems fine - no errors, warning etc. The log of every task contains following information === Build Information === Version : 6.6.3 Build target : x86_64_linux_gnu4.6 Build date : 20110523 === Compiler Suite === C c...

Dear friends, I failed to build abinit 6.6.2 with openmpi; So my operating sys is debian 6, i got fallowing packages to install openmpi libopenmpi1.3 openmpi-checkpoint openmpi-common openmpi-bin libopenmpi-dev now I have /usr/lib/openmpi autocreated and it contains 2 folders "lib" and &qu...

Hello everyone;
as i know it is possible, so my system is
debian 6 (2.6.32-5-amd64)
core2duo6600
nvidiaGTX275

i got toolkit from here http://developer.nvidia.com/cuda-toolkit-32-downloads (ubuntu 10.04) and installed it using default settings

so, what is next?)) i may sound newbe but i didnt find any tutorial or something, so how to?

Hello, everyone. So, as i understood abinit supports gpu calculations.According this page http://forum.abinit.org/viewtopic.php?f=17&t=756 it should be ./configure --enable-gpu --with-gpu-prefix=/usr/local/cuda && make and it shoud be it so i did it, compiling completed without any error...