Dear Lammps-users,
I could run successfully in serial mode the input script in.colloid provided in ‘examples’ folder.
I compiled the serial code using two lines:
make yes-colloid
make serial
./lmp_serial -in in.colloid
But I have problem in running in parallel mode (intel xeon phi):
I have compiled as below:
source /home/soft/intel2015/bin/iccvars.sh intel64
source /home/soft/intel2015/impi/5.0.3.048/bin64/mpivars.sh
cd /home/polymers/irdstaff/ird11343/xeon/lammps-17Nov16_a/lammps-17Nov16/src
$make yes-opt
$make yes-colloid
$make yes-user-omp yes-user-intel
$make intel_cpu_intelmpi
$mpirun -np 12 ./lmp_intel_cpu_intelmpi -in in.colloid -echo screen -log none -pk intel omp 2 -sf intel
LAMMPS (17 Nov 2016)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (…/comm.cpp:90)
using 1 OpenMP thread(s) per MPI task
package intel 1
package intel omp 2
ERROR: Expected integer parameter in input script or data file (…/fix_intel.cpp:61)
Could you suggest any method to resolve this issue?
Thanks,
Sincerely,
Bandy