On Mon, Mar 07, 2022, Scott Le Grand wrote:
>Is it in your pmemd/src directory?
xray_unit_cell.F90 is in the src/pmemd/src/xray/src folder. It's definitely
there in the master branch. Are you sure you are building from a completely
clean directory? If you are using a parallel make (e.g. make -j4), can you
try a 'make -j1'? It's possible that there is some parallel build problem.
>> >>>
>> >>> [PMEMD] FC xray_globals.F90
>> >>> xray_globals.F90:5:7:
>> >>>
>> >>> use xray_unit_cell_module, only: unit_cell_t
>> >>> 1
>> >>> Fatal Error: Can't open module file ‘xray_unit_cell_module.mod’ for
>> >> reading
Also, try 'VEBOSE=1 make install'. That will give you details of exactly
what directories are being searched to find the modules.
Basically, I'm not seeing any problems...just did a fresh pmemd build.
So you must be doing something different from me...we need to try to track
down what that is.
In my build directory, I definitely see the following file:
./src/pmemd/src/xray/modules/pmemd_xray_cpu/xray_unit_cell_module.mod
So, for me, the module is getting built, and the main xray codes (such as in
xray_globals.F90) is finding it.
....dac
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Received on Mon Mar 07 2022 - 18:30:02 PST
