My Community

Hi Colleagues,
When running the VASP simulations, this error happens "Program received signal SIGSEGV: Segmentation fault - invalid memory reference." I have attached the files you need, and could you please assist me.
Thank you,

Best Regards,
Manoj.

Hi Colleagues,
Regarding the previous question, this simulation can be run successfully without "GGA+U" codes (same input files). I need to include "GGA+U" for my simulations. But running with "GGA+U", it generates the error, "invalid memory reference" which was mentioned in previous text. Could please assist to solve this error.
#GGA+U
LDAU = .TRUE.
LDAUTYPE = 2
LDAUL = 2 -1 -1
LDAUU = 6.00 0.00 0.00
LDAUJ = 1.00 0.00 0.00
LDAUPRINT = 1
LMAXMIX = 4

Thank you.

Best Regards,
Manoj.

Dear Manoj Wijesingha,

I was able to reproduce the error which you are reporting. It looks like the selected electronic minimization algorithm you are using is not able to find a minimum which causes a seg fault as follow up. When switching from ALGO=Fast to ALGO=All I was able to do a couple of ionic steps without problems. So you can either try with the ALGO=ALL or maybe try some other algorithm available in VASP.

All the best Jonathan

Hi Jonathan,
Thank you for your supporting and the information. I'll try both ways.

Best Regards,
Manoj