Requested g-index is above maximum g-vector

[joydev.asadtala]

Dear Developer,

I am getting an error message during the dielectric calculation.
All input files & log files are given in the attachment.

Best,
Joydev De
PhD student, NISER, India

[Daniele Varsano]

Dear Joydev,
please sign your post with your name and affiliation, this is a rule of the forum, you can do once for all in the user profile.

Note that error you are reporting it comes from the batch system and it is not actually the error coming from yambo.
Do you have some other message in the log files? or in the output of your batch file?
If nothing is reported, can you try to run again yambo in serial interactively? it should be possible as you are essentially doing an independent particle calculation having set both, i.e. you are neglecting both local filed and xc effects, and it should be fast:

Code: Select all

FxcGRLc= 1             RL      # [TDDFT] XC-kernel RL size
NGsBlkXd= 1            RL      # [Xd] Response block size

in this way, we can see what kind of error is reported.

I have also noticed, at the end of the report file that you have a very bad orthonormalization of your KS states, it let me think that something is not working with the linear algebra. You can try to recompile yambo adding the following line in the configure:
make distclean
./configure ---enable-int-linalg. (and other option you need to compile) [do not add --with-blas and/or --with-lapack in case you used]
make yambo

This could solve the problem.

Best,
Daniele

[joydev.asadtala]

Dear Varsano,

According to your suggestion, I have run in serial mode but getting an error mesage given below
___ __ _____ __ __ _____ _____
| Y || _ || Y || _ \ | _ |
| | ||. | ||. ||. | / |. | |
\_ _/ |. _ ||.\_/ ||. _ \ |. | |
|: | |: | ||: | ||: | \|: | |
|::| |:.|:.||:.|:.||::. /|::. |
`--" `-- --"`-- --"`-----" `-----"


<---> [01] CPU structure, Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells
<---> [02.04] K-grid lattice
<---> [02.05] Energies [ev] & Occupations
<---> [03] Transferred momenta grid
<---> [04] Dipoles
<---> [DIP] Checking dipoles header
<---> [WARNING] DIPOLES database not correct or not present
<---> [x,Vnl] computed using 60 projectors
<---> [WARNING] [x,Vnl] slows the Dipoles computation. To neglect it rename the ns.kb_pp file
<---> Dipoles: P, V and iR (T): | | [000%] --(E) --(X)
<---> [WF-Oscillators/G space] Performing Wave-Functions I/O from ./SAVESegmentation fault (core dumped)

I am attaching the file associate with the serial run by name yambo_serial.tar.gz

Thanking you
Joydev De
PhD student, NISER, India

[Daniele Varsano]

Dear Joydev De,

have you tried to recompile the code using internal linear algebra (---enable-int-linalg) ?
In case you tried, and copy-paste from my previous post there was a dot should not be there.

Another possibility is that it is a memory problem, but it should not with the parameter you are using, anyway you can add in the configure
also the --enable-memory-profile option in order to monitor the memory needed for your calculation.

Best,
Daniele

[joydev.asadtala]

Dear Daniele Varsano,

Thanking you. This problem is solved.

Best,
Joydev De
PhD student, NISER,India