From: Oleksii Zdorevskyi (alzdorev_at_gmail.com)
Date: Mon Apr 13 2020 - 09:45:11 CDT

Hi, Josh,

Thanks for your answer.

In my Ubuntu 18.04 I have gcc version 8.4.0. I firstly I upgraded it to the
version 9.2.1 but during vmd compilation I got an error that my cuda
libraries are incompatible with gcc versions 9* and older, so I returned
back to the previous version.
I tried to do 'make veryclean' but it didn't help.
I even made an attempt to install older CUDA libraries (8.0) but they
require an older nvidia driver version that has a conflict with my GPU.

When compiling VMD, in the log-file above there is a following error:

echo "Compiling " CUDAMarchingCubes.cu " --> " CUDAMarchingCubes.o " ..."; \
/usr/local/cuda-10.2/bin/nvcc --ptxas-options=-v -gencode
arch=compute_30,code=compute_30 -gencode arch=compute_30,code=sm_35
-gencode arch=compute_30,code=sm_37 -gencode
arch=compute_50,code=compute_50 -gencode arch=compute_50,code=sm_50
-gencode arch=compute_60,code=compute_60 -gencode
arch=compute_60,code=sm_60 --ftz=true --machine 64 -O3 -DARCH_LINUXAMD64
-DVMDOPENGL -DVMDOPENGLPBUFFER -DVMDGLXPBUFFER -DVMDACTC -DVMDCOLVARS
-DVMDCUDA -DMSMPOT_CUDA -DVMDMPI -DVMDIMD -DVMDXINPUT -DVMDLIBTACHYON
-DVMDCONTRIB -DVMDPYTHON -DVMDTHREADS -DWKFTHREADS -DUSEPOSIXTHREADS
-D_REENTRANT -DVMDNUMPY -DVMDQUICKSURF -DVMDWITHCARBS -DVMDPOLYHEDRA
-DVMDSURF -DVMDMSMS -DVMDNANOSHAPER -DVMDTCL -DVMDTK -DVMDSTATICPLUGINS
 -DVMDGUI -DVMDFLTK -I../lib/actc/include -I/usr/include/mpich
-I../lib/tachyon/include -I/usr/include/python2.7
-I/usr/include/python2.7/numpy
-I/usr/lib/python2.7/dist-packages/numpy/core/lib -I/usr/include/tcl
-I/usr/include/tk -I/usr/local/lib/vmd/plugins/include
-I/usr/local/lib/vmd/plugins/LINUXAMD64/molfile -I../lib/netcdf/include
-I../lib/fltk/include -I. -c CUDAMarchingCubes.cu -o
./LINUXAMD64/CUDAMarchingCubes.o
Compiling CUDAMarchingCubes.cu --> CUDAMarchingCubes.o ...
*/usr/local/cuda-10.2/bin/../targets/x86_64-linux/include/thrust/system/cuda/detail/cub/block/block_scan.cuh(578):
error: no suitable constructor exists to convert from "int" to "uint2"*

Are there any options to deal with it?
Thanks.

Best,
Oleksii

пт, 10 апр. 2020 г. в 19:21, Josh Vermaas <joshua.vermaas_at_gmail.com>:

> Hi Oleksii,
>
> Were there any other errors higher up in the log? I've also seen these if
> I got halfway through a compile and then changed something. Sometimes CUDA
> can get finicky about that. Just "make clean" to remove the object files
> then "make" has solved this problem for me in the past. The other
> possibility I can think of is that your gcc version is too old for CUDA
> 10.2 (depends on your operating system. See
> https://docs.nvidia.com/cuda/cuda-installation-guide-linux/index.html#system-requirements
> ).
>
> -Josh
>
> On Fri, Apr 10, 2020 at 10:03 AM Oleksii Zdorevskyi <alzdorev_at_gmail.com>
> wrote:
>
>> Hi all,
>>
>> I am trying to compile vmd 1.9.3 on my PC with the following options:
>> LINUXAMD64 OPENGL OPENGLPBUFFER FLTK TK ACTC CUDA MPI IMD XINPUT
>> LIBTACHYON NETCDF COLVARS CONTRIB TCL PYTHON PTHREADS NUMPY GCC
>>
>> But when running 'make' command I get the following error:
>> 1 error detected in the compilation of
>> "/tmp/tmpxft_000021ca_00000000-8_CUDAMarchingCubes.compute_60.cpp1.ii".
>> Makefile:586: recipe for target 'CUDAMarchingCubes.o' failed
>> make: *** [CUDAMarchingCubes.o] Error 1
>>
>> I have GPU GTX 1660 TI, the version 10.2 of cuda libraries and Nvidia
>> driver 440.82.
>> Could you give me an idea what's wrong?
>> Thanks in advance.
>>
>> Best,
>> Oleksii
>>
>