Common failures of time dependent codes

cannot execute: gpu_malloc

Example of error:

GPU ERROR: ip[154]: cannot execute: gpu_malloc(NXY*nwfip*2*sizeof(cufftDoubleComplex), (void **)&d_wf_d_dy)
file=`/gs/hs1/hp190063/share/wslda/hpc-engine/cpca.c`, line=602
Error=2
Exiting!

This type error indicates that there is not enough memory to run the code.
Solution: increase the number of GPUs.
Note: you can use td-memory.py to estimate the number of required GPUs for your problem.