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Dear Intel users and experts
I am running Vasp software with intel oneapi toolkit and I am get the following
libsvml.so: cannot open shared object file: No such file or directory
I know I have this library installed in my intel compiler and I know its location
/opt/intel/oneapi/compiler/2023.0.0/linux/compiler/lib/intel64_lin/libsvml.so
I put it in /etc/ld.so.conf.d
run ldconfig
I even put it in bashrc
I tried many time no change
I hope I can get some advice to point my mistakes
Thank you
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Hi,
Thanks for posting in Intel Communities.
Please ensure you have installed both the Intel Base Toolkit and HPC Toolkit.
Please find the below link for building VASP with Intel Compilers.
If your issue still persists, then please let us know the OS details, hardware, version of VASP you are using, and steps you have followed to reproduce the issue.
Thanks & Regards,
Varsha
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Dear Varsha
Thank you very much for your kind answer
I am still having the same problem
As you advice please here the information you need it
1- Red hat v. 8.7
2- vasp.6.3.2
3- make DEPS=1 -j4
4- Please see my makefile.include
CPP_OPTIONS = -DHOST=\"LinuxIFC\" \
-DMPI -DMPI_BLOCK=8000 -Duse_collective \
-DscaLAPACK \
-DCACHE_SIZE=4000 \
-Davoidalloc \
-Dvasp6 \
-Duse_bse_te \
-Dtbdyn \
-Dfock_dblbuf \
-D_OPENMP
CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS)
FC = mpiifort -qopenmp
FCL = mpiifort
FREE = -free -names lowercase
FFLAGS = -assume byterecl -w
OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0
OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o
OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o
OBJECTS_O2 += fft3dlib.o
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = icc
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)
OBJECTS_LIB = linpack_double.o
# For the parser library
CXX_PARS = icpc
LLIBS = -lstdc++
##
## Customize as of this point! Of course you may change the preceding
## part of this file as well if you like, but it should rarely be
## necessary ...
##
# When compiling on the target machine itself, change this to the
# relevant target when cross-compiling for another architecture
VASP_TARGET_CPU ?= -march=core-avx2
FFLAGS += $(VASP_TARGET_CPU)
# Intel MKL (FFTW, BLAS, LAPACK, and scaLAPACK)
# (Note: for Intel Parallel Studio's MKL use -mkl instead of -qmkl)
FCL += -qmkl
MKLROOT ?= /opt/intel/oneapi/mkl/2023.0.0
LLIBS += -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64
INCS =-I$(MKLROOT)/include/fftw
# HDF5-support (optional but strongly recommended)
#CPP_OPTIONS+= -DVASP_HDF5
HDF5_ROOT ?= /home/sherifyehia/Desktop/Codes/hdf5-1.13.2
LLIBS += -L$(HDF5_ROOT)/lib -lhdf5_fortran
INCS += -I$(HDF5_ROOT)/include
# For the VASP-2-Wannier90 interface (optional)
#CPP_OPTIONS += -DVASP2WANNIER90
#WANNIER90_ROOT ?= /path/to/your/wannier90/installation
#LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier
# For the fftlib library (hardly any benefit in combination with MKL's FFTs)
FCL = mpiifort fftlib.o -qmkl
CXX_FFTLIB = icpc -qopenmp -std=c++11 -DFFTLIB_USE_MKL -DFFTLIB_THREADSAFE
INCS_FFTLIB = -I./include -I$(MKLROOT)/include/fftw
LIBS += fftlib
Thank you very much for your time and effort
Best Regards,
Sherif
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Hi Sherif,
Could you please try setting the path LINK = -L<path-to-the-library-libsvml> -lsvml in the makefile and try running and let us know if you are able to run without any errors?
Thanks & Regards,
Varsha
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Hi,
We have not heard back from you. Could you please provide an update on your issue?
Thanks & Regards,
Varsha
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Hi,
We assume that your issue is resolved. This thread will no longer be monitored by Intel. If you need additional information, please start a new thread.
Thanks & Regards,
Varsha
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Hi I am facing the same issue, how can i resolve this?
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