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Hi,

I'm trying to perform a screening calculation for nio as given in my file "gwscreening.in". I have previously obtained the DEN and KSS files from an SCF and non-SCF calculations as given in "gwscf.in" and "gwnscf.in" respectively. For some insight, If run on just one machine, I'll get this error

screening : taking advantage of time-reversal symmetry
Maximum band index for partially occupied states nbvw = 18
Remaining bands to be divided among processors nbcw = 82
Number of bands treated by each node ~ 82
Distributing bands across the nodes
Segmentation fault

When I run in parallel, I would just get the Segmentation fault error. Is it a problem with gwpara? I've found that gwpara 1 and 2 also give the segmentation fault error. For gwpara 1 I get

screening : taking advantage of time-reversal symmetry
Maximum band index for partially occupied states nbvw = 18
Remaining bands to be divided among processors nbcw = 82
Number of bands treated by each node ~ 82
Parallel over transitions. NO memory reduction except for the spin.
Segmentation fault


If anyone has some insight or advice, I would be very thankful.

Here is the log file and subsequent error for gwpara 2

[Utarid:12955] *** Process received signal ***
[Utarid:12955] Signal: Segmentation fault (11)
[Utarid:12955] Signal code: Address not mapped (1)
[Utarid:12955] Failing at address: 0xc27dd008
[Utarid:12955] [ 0] [0xbb840c]
[Utarid:12955] [ 1] abinit(__m_wfs_MOD_wfd_init+0xbb5) [0x8408e75]
[Utarid:12955] [ 2] abinit(screening_+0x1aec) [0x80c629c]
[Utarid:12955] [ 3] abinit(driver_+0x32ef) [0x8092f6f]
[Utarid:12955] [ 4] abinit(MAIN__+0xa2c) [0x808e19c]
[Utarid:12955] [ 5] abinit(main+0x2c) [0x91c849c]
[Utarid:12955] [ 6] /lib/libc.so.6(__libc_start_main+0xe6) [0x7b8ce6]
[Utarid:12955] [ 7] abinit() [0x808d6d1]
[Utarid:12955] *** End of error message ***
--------------------------------------------------------------------------
mpirun noticed that process rank 7 with PID 12955 on node exited on signal 11 (Segmentation fault).
--------------------------------------------------------------------------

I've added the term fftgw 11 as used in

gwdp/Input/tv5_63.in
gwdp/Input/tv5_68.in

and the error disappeared.

This is a memory problem. fftgw 11 allows one to reduce the memory footprint