Dear all,
I have been trying to install the cuda version of amber20. While I prepare the installation files using run_cmake (of course by changing the -DCUDA=TRUE). I got an error during the installation step (make install).
The installation stops at 28% while executing amber_rism_interface.F90.o
######################### ERROR as follows ############################
/home/andromeda/CHIMICA/amber20/amber20_src/AmberTools/src/rism/amber_rism_interface.F90:2586:44:
 2586 | if (safemem_dealloc(atomPositions_fce)/= 0) &
| 1
Error: Symbol ‘atompositions_fce’ at (1) has no IMPLICIT type
/home/andromeda/CHIMICA/amber20/amber20_src/AmberTools/src/rism/amber_rism_interface.F90:1476:24:
 1476 | atomPositions_fce = atomPositions_md
| 1
Error: Symbol ‘atompositions_fce’ at (1) has no IMPLICIT type; did you mean ‘atompositions_md’?
/home/andromeda/CHIMICA/amber20/amber20_src/AmberTools/src/rism/amber_rism_interface.F90:1344:26:
 1344 | atomPositions_fce => safemem_realloc(atomPositions_fce, 3, rism_3d%solute%numAtoms)
| 1
Error: Symbol ‘atompositions_fce’ at (1) has no IMPLICIT type
/home/andromeda/CHIMICA/amber20/amber20_src/AmberTools/src/rism/amber_rism_interface.F90:3087:66:
 3087 | *this%solvent%charge(iv)*this%solvent%density(iv), this%guv(1, iv), 1, work, 1)
| 1
......
 3418 | solvationEnergy_V_map, 1, solventEntropy_V_map, 1)
| 2
Warning: Element of assumed-shape or pointer array as actual argument at (1) cannot correspond to actual argument at (2)
make[2]: *** [AmberTools/src/rism/CMakeFiles/sander_rism_interface.dir/build.make:82: AmberTools/src/rism/CMakeFiles/sander_rism_interface.dir/amber_rism_interface.F90.o] Error 1
make[1]: *** [CMakeFiles/Makefile2:6918: AmberTools/src/rism/CMakeFiles/sander_rism_interface.dir/all] Error 2
make: *** [Makefile:171: all] Error 2
#########################################################################
Is there any simple way to jump over this bug?
I thank you all in advance.
Thanks with Regards
Akash Deep Biswas, PhD,
Post Doctorate Researcher,
Department of Pharmaceutical Sciences,
University of Milan, Italy
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Nov 04 2021 - 05:00:02 PDT
