How to increase the maximum number of atoms ?

Posted on : November 16, 2016 (Wed) 22:04:56

by Andrei Baranovskiy

Dear KKR Administrator,

I've got an unexpected problem when was trying to increase the maximum number of atoms in the unit cell. I need it to be 13 atoms, but after changing natmmax parameter to 13 I've got an error during compilation of the program (see below). Is there any way to fix this problem ? May be it is possible to decrease some parameters without affecting drastically on calculation quality ?

Thank you in advance,
Andrei.

source/specx.o: In function `MAIN__':
specx.f:(.text+0x3d1): relocation truncated to fit: R_X86_64_PC32 against `.bss'
specx.f:(.text+0x3ff): relocation truncated to fit: R_X86_64_PC32 against `.bss'
specx.f:(.text+0x712): relocation truncated to fit: R_X86_64_32 against `.bss'
specx.f:(.text+0x778): relocation truncated to fit: R_X86_64_32S against `.bss'
specx.f:(.text+0x799): relocation truncated to fit: R_X86_64_32S against `.bss'
specx.f:(.text+0x7a5): relocation truncated to fit: R_X86_64_32S against `.bss'
specx.f:(.text+0x7cd): relocation truncated to fit: R_X86_64_32S against `.bss'
specx.f:(.text+0x7e5): relocation truncated to fit: R_X86_64_32S against `.bss'
specx.f:(.text+0x919): relocation truncated to fit: R_X86_64_32S against `.bss'
specx.f:(.text+0x935): relocation truncated to fit: R_X86_64_32S against `.bss'
specx.f:(.text+0xa41): additional relocation overflows omitted from the output
collect2: ld returned 1 exit status
make: *** [specx] Error 1