VASP_6.1.2_patched Intel Compiler Error in Test Suite
Posted: Tue Jan 26, 2021 12:31 am
Good evening,
I wish to resolve the following error observed when the test suite is executed:
SUMMARY:
==================================================================
The following tests failed, please check the output file manually:
bulk_GaAs_G0W0_sym bulk_GaAs_G0W0_sym_RPR bulk_GaAs_scGW0_ALGO=D_sym bulk_GaAs_scGW0_ALGO=D_sym_RPR bulk_GaAs_scGW0_sym bulk_GaAs_scGW0_sym_RPR bulk_GaAs_scGW_ALGO=D_sym bulk_GaAs_scGW_ALGO=D_sym_RPR bulk_GaAs_scGW_sym bulk_GaAs_scGW_sym_RPR bulk_InP_SOC_G0W0_sym bulk_InP_SOC_G0W0_sym_RPR bulk_SiO2_LOPTICS bulk_SiO2_LOPTICS_RPR bulk_SiO2_LPEAD bulk_SiO2_LPEAD_RPR SiC8_GW0R Tl_x Tl_y Tl_z
The common variable seemingly being GW calculations. This is the result of running the test suite on VASP 6.1.2 patched on intel compilers. There was an error in compilation, but I would think it should have nothing to do with this. The error I received was:
fortran.c(68): catastrophic error: cannot open source file "cuda_runtime.h"
#include <cuda_runtime.h>
^
compilation aborted for fortran.c (code 4)
make[3]: *** [obj/x86_64/release/fortran.c.o] Error 4
make[3]: Leaving directory `/ensco/mb-nss-unix/molt.robert/VASP_Compile_2/src/vasp.6.1.2_patched/build/gpu/CUDA'
make[2]: *** [release] Error 2
make[2]: Leaving directory `/ensco/mb-nss-unix/molt.robert/VASP_Compile_2/src/vasp.6.1.2_patched/build/gpu/CUDA'
make[1]: *** [CUDA] Error 2
make[1]: Leaving directory `/ensco/mb-nss-unix/molt.robert/VASP_Compile_2/src/vasp.6.1.2_patched/build/gpu'
make: *** [gpu] Error 2
I was surprised to get this error at all; I only specified the makefile for intel compilers, and did not think it would assume to use cuda. I therefore dismissed this error as the makefile being overzealous in trying out the GPU that was not there. Am I wrong, perhaps, and a subsequent part of the compilation post-GPU was neglected? Specifically, I copied makefile.include.linux_intel as my makefile.include . I also used intel64, if that matters.
I have tried to add the OUTCAR as an attachment, either with no file extension or as a .txt; the forum will not let me upload either. Each time I get a message of Invalid File Extension: OUTCAR.txt. If someone can advise, I would be happy to post the OUTCAR of the first failed test calculation, as well as the testsuite.log file.
I wish to resolve the following error observed when the test suite is executed:
SUMMARY:
==================================================================
The following tests failed, please check the output file manually:
bulk_GaAs_G0W0_sym bulk_GaAs_G0W0_sym_RPR bulk_GaAs_scGW0_ALGO=D_sym bulk_GaAs_scGW0_ALGO=D_sym_RPR bulk_GaAs_scGW0_sym bulk_GaAs_scGW0_sym_RPR bulk_GaAs_scGW_ALGO=D_sym bulk_GaAs_scGW_ALGO=D_sym_RPR bulk_GaAs_scGW_sym bulk_GaAs_scGW_sym_RPR bulk_InP_SOC_G0W0_sym bulk_InP_SOC_G0W0_sym_RPR bulk_SiO2_LOPTICS bulk_SiO2_LOPTICS_RPR bulk_SiO2_LPEAD bulk_SiO2_LPEAD_RPR SiC8_GW0R Tl_x Tl_y Tl_z
The common variable seemingly being GW calculations. This is the result of running the test suite on VASP 6.1.2 patched on intel compilers. There was an error in compilation, but I would think it should have nothing to do with this. The error I received was:
fortran.c(68): catastrophic error: cannot open source file "cuda_runtime.h"
#include <cuda_runtime.h>
^
compilation aborted for fortran.c (code 4)
make[3]: *** [obj/x86_64/release/fortran.c.o] Error 4
make[3]: Leaving directory `/ensco/mb-nss-unix/molt.robert/VASP_Compile_2/src/vasp.6.1.2_patched/build/gpu/CUDA'
make[2]: *** [release] Error 2
make[2]: Leaving directory `/ensco/mb-nss-unix/molt.robert/VASP_Compile_2/src/vasp.6.1.2_patched/build/gpu/CUDA'
make[1]: *** [CUDA] Error 2
make[1]: Leaving directory `/ensco/mb-nss-unix/molt.robert/VASP_Compile_2/src/vasp.6.1.2_patched/build/gpu'
make: *** [gpu] Error 2
I was surprised to get this error at all; I only specified the makefile for intel compilers, and did not think it would assume to use cuda. I therefore dismissed this error as the makefile being overzealous in trying out the GPU that was not there. Am I wrong, perhaps, and a subsequent part of the compilation post-GPU was neglected? Specifically, I copied makefile.include.linux_intel as my makefile.include . I also used intel64, if that matters.
I have tried to add the OUTCAR as an attachment, either with no file extension or as a .txt; the forum will not let me upload either. Each time I get a message of Invalid File Extension: OUTCAR.txt. If someone can advise, I would be happy to post the OUTCAR of the first failed test calculation, as well as the testsuite.log file.