[SIESTA-L] memory problem

Friends, thank you very much for replying my previous problem...now during a run of TiC material i have got the following message and my program has been terminated...the message is given below siesta: == Begin MD step =

Re: [SIESTA-L] memory problem

I'd like to add that if you really need a cell this big, you could save memory in Order-N calculations by using the OrderN.LowerMemory flag. There's also a flag called SaveMemory for parallel calculations (yours should be, since a cell this big is not something for serial SIESTA). Finally, the mem

Re: [SIESTA-L] memory problem

Dear Saswata, and it looks like you use a huge unit cell. Is that really what you want? (Remember, the lattice vectors are multiplied by the lattice constant) Cheers Marcel On Mon, 19 Mar 2007, Eduardo Anglada wrote: Dear Saswata, I think you don't have enough free memory. Regards, Eduardo

Re: [SIESTA-L] memory problem

Dear Saswata, I think you don't have enough free memory. Regards, Eduardo

[SIESTA-L] Memory problem when running Siesta in parallel

siesta: Atomic forces (eV/Ang): *** glibc detected *** malloc(): memory corruption: 0x086d9ff8 *** Tot0.030.000.00 Max0.02 Res0.01sqrt( Sum f_i^2 / 3N )

Re: [SIESTA-L] Memory problem when running Siesta in parallel

Hm, this seems to be a complicated error. Googling "malloc(): memory corruption:" shows that it happens for many different softwares. Usually people make implicit that this is due to a system upgrade (when the glibc changes) and the old code is linked to an older glibc. The solution everyone gives

Re: [SIESTA-L] Memory problem when running Siesta in parallel

Hi, This error also happens with intel fortran compiler. Kamaram, could you send me a copy of the fdf and pseudos? Also I need the compilation options you used. Regards, Eduardo On 27/06/2008, at 19:18, Marcos Verissimo Alves wrote: Hm, this seems to be a complicated error. Googling "malloc():

Re: [SIESTA-L] Memory problem when running Siesta in parallel

Hi, As the system is so small (only 1 atom) you shouldn't parallelize over bands, instead try over kpoints (diag.parallelOverK). Best, Eduardo On 02/07/2008, at 21:35, Kamaram Munira wrote: Hi, I am getting another error now * Maximum dynamic memory allocated = 1 MB siesta: