VASP.6.3.0 installation error

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.

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chung-group
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VASP.6.3.0 installation error

#1 Post by chung-group » Fri Jan 28, 2022 2:14 am

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....

alexey.tal
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Re: VASP.6.3.0 installation error

#2 Post by alexey.tal » Fri Jan 28, 2022 9:42 am

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

chung-group
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Re: VASP.6.3.0 installation error

#3 Post by chung-group » Sat Jan 29, 2022 2:21 pm

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

alexey.tal
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Re: VASP.6.3.0 installation error

#4 Post by alexey.tal » Wed Feb 02, 2022 9:43 am

Good point. We have updated the wiki.

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