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License: Creative Commons Zero v1.0 Universal
Instructions for Building Software on Various Platforms
License: Creative Commons Zero v1.0 Universal
Hello,
Iam working on an HPC enviroment and iam trying to install namd3.0 based on the documentation in the link below:
https://github.com/jvermaas/Software-Building-Instructions/blob/main/NAMD.md
based on the procedure in NAMD on slurm-based clusters part
The modules loaded on my enviroment below:
$ module load CUDA
$ module load OpenMPI
$ module load Tcl/8.6.10-GCCcore-9.3.0
$ module load FFTW/3.3.8-intel-2020a
$ module load FFTW/3.3.8-gompi-2019a
While trying to install namd3.0 after executing "make -j8" command i got the errors below:
src/ComputePme.C:19:10: fatal error: sfftw.h: No such file or directory
19 | #include <sfftw.h>
| ^~~~~~~~~
compilation terminated.
make: *** [obj/ComputePme.o] Error 1
make: *** Waiting for unfinished jobs....
src/Node.C: In constructor ‘Node::Node(GroupInitMsg*)’:
src/Node.C:351:28: error: ‘ck_get_GNI_BIConfig’ was not declared in this scope
351 | balancedInjectionLevel=ck_get_GNI_BIConfig();
| ^~~~~~~~~~~~~~~~~~~
src/Node.C:353:5: error: ‘ck_set_GNI_BIConfig’ was not declared in this scope
353 | ck_set_GNI_BIConfig(20);
| ^~~~~~~~~~~~~~~~~~~
src/Node.C: In member function ‘void Node::startup()’:
src/Node.C:886:7: error: ‘ck_set_GNI_BIConfig’ was not declared in this scope
886 | ck_set_GNI_BIConfig(balancedInjectionLevel);
| ^~~~~~~~~~~~~~~~~~~
make: *** [obj/Node.o] Error 1
If there is something missing in my procedure please let me know.
Thanks in advance.
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