libcublas (conda-forge) not recognized

[marcodigennaro]

Hello, I am trying the ani_quicktest.py example and I receive an error:

$ python examples/ani_quicktest.py
Traceback (most recent call last):
  File "/home/mdi0316/WORK_TME022/external_packages/ASE_ANI/examples/ani_quicktest.py", line 6, in <module>
    from ase_interface import ANIENS
  File "/home/mdi0316/WORK_TME022/external_packages/ASE_ANI/lib/ase_interface.py", line 20, in <module>
    import pyNeuroChem as pync
ImportError: libcublas.so.9.2: cannot open shared object file: No such file or directory

Nonetheless, I installed libcublas

$ conda list | grep libcublas
libcublas                 12.3.2.9                      0    nvidia

I am using this GPU:

$ sudo lshw -C display
[sudo] password for mdi0316:
  *-display
       description: VGA compatible controller
       product: GM204GL [Quadro M4000]
       vendor: NVIDIA Corporation
       physical id: 0
       bus info: pci@0000:02:00.0
       version: a1
       width: 64 bits
       clock: 33MHz
       capabilities: pm msi pciexpress vga_controller bus_master cap_list rom
       configuration: driver=nvidia latency=0
       resources: irq:40 memory:f2000000-f2ffffff memory:e0000000-efffffff memory:f0000000-f1ffffff ioport:1000(size=128) memory:c0000-dffff

Thank you

[pchuy1906]

hello, I have the same problem. Do we need to to used the exact cuda 9.2?

[isayev]

Folks, @pchuy1906 @marcodigennaro - this repository is deprecated and no longer supported. Please use torchani instead.