Checking whether user is given correct role assignment

You can get information by using the 2 commands. Check the resulting log files

adquery user user1 -A > /tmp/adquery.txt
dzinfo -A user1 > /tmp/dzinfo.txt



Rectifying Corrupted Keytab file on Centrify Client

Do the required Centrify Log Collection. Do take a look at Collecting logs from Centrify Client

If you notice the logs


Oct  5 20:19:06 lsf-login2 adclient[16400]: DEBUG <fd:27 PAMVerifyPassword > base.osutil Module=Kerberos : while getting service credentials: Decrypt integrity check failed (reference base/aduser.cpp:1629 rc: -1765328353) Oct  5 20:19:06 lsf-login2 adclient[16400]: DEBUG <fd:27 PAMVerifyPassword > base.aduser Unable to verify user’s credentials: while getting service credentials: Decrypt integrity check failed Oct  5 20:19:06 lsf-login2 adclient[16400]: DIAG  <fd:27 PAMVerifyPassword > daemon.ipcclient validate password caught exception: while getting service credentials: Decrypt integrity check failed Oct  5 20:19:06 lsf-login2 adclient[16400]: WARN  <fd:27 PAMVerifyPassword > audit User ‘user1’ not authenticated: while getting service credentials: Decrypt integrity check failed Oct  5 20:19:06 lsf-login2 adclient[16400]: DEBUG <fd:27 PAMVerifyPassword > daemon.ipcclient2 doPAMVerifyPassword: user ‘jliu024’ not OK: -1765328353 (Kerberos) Oct  5 20:19:06 lsf-login2 adclient[16400]: DEBUG <fd:27 PAMVerifyPassword > daemon.ipcclient2 request ‘PAMVerifyPassword’ complete =======================

To resolve the issue, do the following

# adkeytab -r -u User1

And try to restart adclient again as root

# /usr/share/centrifydc/bin/centrifydc restart

Collecting logs from Centrify Client

On the Centrify Unix server, as root or sudo, please run the following commands:

1. Turn on Centrify debug:

# /usr/share/centrifydc/bin/addebug on
# /usr/share/centrifydc/bin/addebug clear

2. Reproduce the issue, attempt to log-in.

3. Collect adinfo:

# adinfo -t

4. Turn Off Debug

# /usr/share/centrifydc/bin/addebug off

5. Run adquery and dzinfo for the selected Users:

# adquery user -A UserID1 > /tmp/adquery.txt
# dzinfo UserID1 > /tmp/dzinfo.txt

6. Send the Logs to Centrify Support


Testing the AD User Authentication with Centrify

Test 1: Test with SSH

The simplest way is to enable SSH and connect to it.

Test 2: Test with adinfo

# adinfo -A --user user1
Active Directory password:
Password for user "user1" is correct

Test 3: Test using kinit

# /usr/share/centrifydc/kerberos/bin/kinit user1
# /usr/share/centrifydc/kerberos/bin/klist
Ticket cache: FILE:/tmp/krb5cc_0
Default principal:
Valid starting       Expires           Service principal


  1. Centrify is in connected mode but users are unable to login.

Compiling with NWChem-6.6 with Intel MPI-5.0.3

Here is a write-up of my computing platform and applications:

  1. NWChem 6.6 (Oct 2015)
  2. Intel Compilers 2015 XE (version 15.0.6)
  3. Intel MPI (5.0.3)
  4. Intel MKL (11.2.4)
  5. Infiniband Inteconnect (OFED 1.5.3)
  6. CentOS 6.3 (x86_64)

Step 1: First thing first, source the intel components setting from

source /usr/local/intel_2015/parallel_studio_xe_2015/bin/ intel64
source /usr/local/intel_2015/impi/ intel64
source /usr/local/intel_2015/composerxe/bin/ intel64
source /usr/local/intel_2015/mkl/bin/ intel64

Step 2: Assuming you are done, you may want to download the NWChem 6.6 from NWChem Website. You may also want to take a look at instruction set for Compiling NWChem.

I have less problem running NWCHEM when the installation and the compiling directories are the same. If you recompile, do untar from source. Somehow the “make clean” does not clean the directories properly.

# tar -zxvf Nwchem-6.6.revision27746-src.2015-10-20.tar.gz
# cd nwchem-6.6

Step 3: Apply All the Patches for the 27746 revision of NWChem 6.6

gzip -d Xccvs98.patch.gz
patch -p0 < Xccvs98.patch

Here is my For more details information, see Compiling NWChem for details on some of the parameters

export TCGRSH=/usr/bin/ssh
export NWCHEM_TOP=/home/melvin/Downloads/nwchem-6.6

export IB_INCLUDE=/usr/include
export IB_LIB=/usr/lib64
export IB_LIB_NAME="-libumad -libverbs -lpthread"

export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LOC=/usr/local/RH6_apps/intel_2015/impi_5.0.3/intel64
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export LIBMPI="-lmpigf -lmpigi -lmpi_ilp64 -lmpi"

export FC=ifort
export CC=icc

export MKLLIB=/usr/local/RH6_apps/intel_2015/mkl/lib/intel64
export MKLINC=/usr/local/RH6_apps/intel_2015/mkl/include

export PYTHONHOME=/usr
export USE_PYTHON64=y
sed -i 's/libpython$(PYTHONVERSION).a/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)/g' config/makefile.h

export HAS_BLAS=yes
export BLAS_SIZE=8 
export BLASOPT="-L$MKLLIB -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm"
export LAPACK_LIBS="-L$MKLLIB -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm"
export SCALAPACK="-L$MKLLIB -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"
export USE_64TO32=y

echo "cd $NWCHEM_TOP/src"
cd $NWCHEM_TOP/src

echo "BEGIN --- make realclean "
make realclean
echo "END --- make realclean "

echo "BEGIN --- make nwchem_config "
make nwchem_config
echo "END --- make nwchem_config "

echo "BEGIN --- make"
make CC=icc FC=ifort FOPTIMIZE=-O3 -j4
echo "END --- make "

cd $NWCHEM_TOP/src/util
make CC=icc FC=ifort FOPTIMIZE=-O3 version
make CC=icc FC=ifort FOPTIMIZE=-O3
cd $NWCHEM_TOP/src
make CC=icc FC=ifort FOPTIMIZE=-O3  link

General Site Installation

Determine the local storage path for the install files. (e.g., /usr/local/NWChem).
Make directories

# mkdir /usr/local/nwchem-6.6
# mkdir /usr/local/nwchem-6.6/bin
# mkdir /usr/local/nwchem-6.6/data

Copy binary

# cp $NWCHEM_TOP/bin/ /usr/local/nwchem-6.6/bin
# cd /usr/local/nwchem-6.6/bin
# chmod 755 nwchem

Copy libraries

# cd $NWCHEM_TOP/src/basis
# cp -r libraries /usr/local/nwchem-6.6/data

# cd $NWCHEM_TOP/src/
# cp -r data /usr/local/nwchem-6.6

# cd $NWCHEM_TOP/src/nwpw
# cp -r libraryps /usr/local/nwchem-6.6/data

The Final Lap (From Compiling NWChem)

Each user will need a .nwchemrc file to point to these default data files. A global one could be put in /usr/local/nwchem-6.6/data and a symbolic link made in each users $HOME directory is probably the best plan for new installs. Users would have to issue the following command prior to using NWChem: ln -s /usr/local/nwchem-6.6/data/default.nwchemrc $HOME/.nwchemrc

Contents of the default.nwchemrc file based on the above information should be:

nwchem_basis_library /usr/local/nwchem-6.6/data/libraries/
nwchem_nwpw_library /usr/local/nwchem-6.6/data/libraryps/
ffield amber
amber_1 /usr/local/nwchem-6.6/data/amber_s/
amber_2 /usr/local/nwchem-6.6/data/amber_q/
amber_3 /usr/local/nwchem-6.6/data/amber_x/
amber_4 /usr/local/nwchem-6.6/data/amber_u/
spce    /usr/local/nwchem-6.6/data/solvents/spce.rst
charmm_s /usr/local/nwchem-6.6/data/charmm_s/
charmm_x /usr/local/nwchem-6.6/data/charmm_x/


  1. 470. Very briefly: compiling nwchem 6.3 with ifort and mkl
  2. Compiling NWChem from source
  3. Problem building NWChem version 6.5 on IB cluster with MKL & IntelMPI

Enable Centrify Agent to read UID and GID from Centrify DirectManage Access Manager

We purchased Centrify Standard and setup the DirectManage Access Manager. Next we proceed to install the client agent on the compute node.

After unpacking and installing the agent, when we do a

# getent passwd  |grep kittycool

Apparently, the getent passwd |grep kittycool is pulling both the Active Directory UID and the DirectManage Access and the user UID differs

To resolve this issue, you need to specify the zone which is used by DirectManage Access Manager, so your UID of the user will pick from the DirectManage Access Manager.

# adjoin -z cluster -u OU_Administrator -c ""

To check it is displaying the correct UID and GID,

# getent passwd  |grep kittycool