The memory usage can be found by analyzing files '*.memory0', '*.memory1',..., and '*.memory#', where '*' is the file name specified by the keyword 'System.Name' and the number in the file extension corresponds to process ID in the MPI parallelization. The files are output by setting the keyword 'memory.usage.fileout' as
memory.usage.fileout on # default=off, on|offAs an example 'met.memory0' is shown below
Memory: SetPara_DFT: Spe_PAO_XV 0.01 MBytes Memory: SetPara_DFT: Spe_PAO_RV 0.01 MBytes Memory: SetPara_DFT: Spe_Atomic_Den 0.01 MBytes Memory: SetPara_DFT: Spe_PAO_RWF 0.57 MBytes Memory: SetPara_DFT: Spe_RF_Bessel 1.03 MBytes Memory: SetPara_DFT: Spe_VPS_XV 0.01 MBytes Memory: SetPara_DFT: Spe_VPS_RV 0.01 MBytes Memory: SetPara_DFT: Spe_Vna 0.01 MBytes Memory: SetPara_DFT: Spe_VH_Atom 0.01 MBytes Memory: SetPara_DFT: Spe_Atomic_PCC 0.01 MBytes Memory: SetPara_DFT: Spe_VNL 0.11 MBytes Memory: SetPara_DFT: Spe_VNLE 0.00 MBytes Memory: SetPara_DFT: Spe_VPS_List 0.00 MBytes ..... .... ... Memory: Poisson: array0 4.00 MBytes Memory: Poisson: array1 4.00 MBytes Memory: Poisson: request_send 0.00 MBytes Memory: Poisson: stat_send 0.00 MBytes Memory: Poisson: request_recv 0.00 MBytes Memory: Poisson: stat_recv 0.00 MBytes Memory: Force: Hx 0.00 MBytes Memory: Force: Hy 0.00 MBytes Memory: Force: Hz 0.00 MBytes Memory: Force: CDM0 0.00 MBytes Memory: Data_Grid_Copy_B2C_1: Work_Array_Snd_Grid_B2C 0.72 MBytes Memory: Data_Grid_Copy_B2C_1: Work_Array_Rcv_Grid_B2C 0.72 MBytes Memory: total 256.99 MBytesThe file can be obtained by setting the keyword in the input file 'Methane.dat' and performing a single process. Note that memory usages for most of arrays are listed in the file, but the list is not complete.