[AMBER] Compiling Amber 22 (+ AT 23) with Intel compiler

From: Vlad Cojocaru via AMBER <amber.ambermd.org>
Date: Mon, 5 Jun 2023 08:23:34 +0200

Dear all,

I am trying to compile Amber 22 (AT 23) on a remote HPC machine using
the Intel compiler (21.7.1 or 2022). intel MPI 2021.7 and CUDA 11.6 but
I am getting the error below. The same compilation works fine with GCC
11.2 and openmpi 4.1.

Could anyone give me an advice how to se the nvcc flag
'-allow-unsupported-compiler' for the cmake compilation ?

Thanks a lot
Vlad


In file included from <built-in>:1:
In file included from
/mpcdf/soft/SLE_15/packages/x86_64/cuda/11.6.2/include/cuda_runtime.h:83:
/mpcdf/soft/SLE_15/packages/x86_64/cuda/11.6.2/include/crt/host_config.h:140:2:
error: -- unsupported clang version! clang version must be less than 14
and gre
ater than 3.2 . The nvcc flag '-allow-unsupported-compiler' can be used
to override this version check; however, using an unsupported host
compiler may cause c
ompilation failure or incorrect run time execution. Use at your own risk.
#error -- unsupported clang version! clang version must be less than 14
and greater than 3.2 . The nvcc flag '-allow-unsupported-compiler' can
be used to overr
ide this version check; however, using an unsupported host compiler may
cause compilation failure or incorrect run time execution. Use at your
own risk.
^
1 error generated.
CMake Error at
cpptraj_cuda_routines_generated_kernel_wrappers.cu.o.RELEASE.cmake:218
(message):
  Error generating
  /u/vcojocar/apps/amber/22_tools-23_intel-2021.7.1_impi-2021.7_cuda-11.6/build/AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cpptraj_cuda_routines.dir//.
/cpptraj_cuda_routines_generated_kernel_wrappers.cu.o


make[2]: ***
[AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cpptraj_cuda_routines.dir/build.make:84:
AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cp
ptraj_cuda_routines.dir/cpptraj_cuda_routines_generated_kernel_wrappers.cu.o]
Error 1
make[1]: *** [CMakeFiles/Makefile2:7353:
AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cpptraj_cuda_routines.dir/all]
Error 2
make: *** [Makefile:156: all] Error 2


-- 
Dr. Vlad Cojocaru (PD, Habil.)
----------------------------------------------
Guest Scientist / Fmr. Project Group Leader
Max Planck Institute for Molecular Biomedicine
Röntgenstrasse 20, 48149 Münster, Germany
----------------------------------------------
Email:vlad.cojocaru.mpi-muenster.mpg.de
http://www.mpi-muenster.mpg.de/43241/cojocaru
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Received on Sun Jun 04 2023 - 23:30:02 PDT
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