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VASP.6.3.0 installation error

Posted: Fri Jan 28, 2022 2:14 am
by chung-group
I use the following makefile (makefile.include.intel) to compile VASP.6.3.0 using ICC/2019.5 compiler and mpi/openmpi-4.1.1 and getting the following error message during the compilation.

Any help is highly appreciated.

pseudo_struct.F(4): error #7005: Error in reading the compiled module file. [RADIAL_STRUCT_DEF]
USE radial_struct_def
------^
pseudo_struct.F(77): error #6457: This derived type name has not been declared. [RGRID]
TYPE (rgrid) :: R ! radial grid
-----------^
compilation aborted for pseudo_struct.f90 (code 1)
makefile:166: recipe for target 'pseudo_struct.o' failed
make[2]: *** [pseudo_struct.o] Error 1
make[2]: *** Waiting for unfinished jobs....

Re: VASP.6.3.0 installation error

Posted: Fri Jan 28, 2022 9:42 am
by alexey.tal
Hi,

Are you running the compilation in parallel?
If so, this error could be due to the compilation order. If you want to compile in parallel, you need to specify option DEPS=1 as described in README.md.

Best,
Alexey

Re: VASP.6.3.0 installation error

Posted: Sat Jan 29, 2022 2:21 pm
by chung-group
thanks for the information. I was able to successfully compile. I think the issue was resolved by compiling without invoking -j4, so DEPS=1 should have solved the problem. Someone should update Step 3 of the VASP installation page on the Wiki since it says just -jN

Re: VASP.6.3.0 installation error

Posted: Wed Feb 02, 2022 9:43 am
by alexey.tal
Good point. We have updated the wiki.