Re: NAMD on IBM cluster AIX-RS6000

From: Gengbin Zheng (
Date: Mon Jan 24 2005 - 15:17:14 CST

First you need to make sure tcl is compiled exactly like what is
described in:

And also, on IBM SP, there are 64 mode and 32 object mode. NAMD is
compiled using whatever is default on your system with mpiCC. If you run
"file" command with any obj file under namd2/MPI-SP/obj, you should be
able to know which mode by default it compiles.
And then you can run "file" to your to see if they match.

There is an environment variable OBJECT_MODE which you can define to
either 32 or 64 to instruct xlC compiler which mode you want. You can
not link with libraries with different modes.


Harindar Keer wrote:

>Hi Gengbin,
> Thanks for help. Now I am struck at the end build... I got following
>munch: The input file /usr/lib/ is not valid in the current
>object mode.
>Fatal Error by charmc in directory /u/hkeer/NAMD_2.5_Lori/AIX-RS6000-xlC
> Command xlC_r -brtl -bmaxdata:0x80000000 -bmaxstack:0x80000000 -O3
>-qstrict -Q -qarch=com -qtune=pwr3 -qfloat=rsqrt:fltint
>-bmaxdata:0x80000000 -L/u/hkeer/local/include/lib
>I compiled the tcl8.3 locally. Please let me know what can be done.
>Many thanks,
>On Fri, 2005-01-21 at 20:06, Gengbin Zheng wrote:
>>This is an easy fix, go to file namd2/arch/AIX-RS6000-xlC.arch
>>change line:
>>CXX = xlC_r -w -DSOCKLEN_T=size_t -qstaticinline
>>CXX = xlC_r -w -DSOCKLEN_T=socklen_t -qstaticinline
>>This fix has been checked in to namd cvs, btw.
>>Harindar Keer wrote:
>>> I am trying to install NAMD2.5 on IBM cluster, AIX-RS6000-xlC
>>>I am struck at following error while running make
>>> xlC_r -w -DSOCKLEN_T=size_t -qstaticinline
>>>-I/u/hkeer/NAMD_2.5_Lori/charm-5.8/net-rs6k/include -DCMK_OPTIMIZE=1
>>>-Isrc -Iinc -I/u/hkeer/Packages/plugins/AIX4
>>>-I/u/hkeer/Packages/plugins/include -I/u/hkeer/plugins/AIX4
>>>-I/u/hkeer/plugins/AIX4/molfile -I/u/hkeer/plugins/include
>>>-I/u/hkeer/Packages/plugins/LINUX -DNAMD_PLUGINS
>>>-I/u/hkeer/Packages/tcl/include -DNAMD_TCL -DUSE_NON_CONST
>>>-I/u/hkeer/Packages/fftw/linux/include -DNAMD_FFTW
>>>-DNAMD_VERSION=\"2.5\" -DNAMD_PLATFORM=\"AIX-RS6000\" -O3 -qstrict -Q
>>>-qarch=com -qtune=pwr3 -qfloat=rsqrt:fltint -bmaxdata:0x80000000 -o
>>>obj/vmdsock.o -c src/vmdsock.C
>>>"src/vmdsock.C", line 129.52: 1540-0256 (S) A parameter of type
>>>"unsigned int *" cannot be initialized with an expression of type
>>>"unsigned long *".
>>>"src/vmdsock.C", line 129.52: 1540-1205 (I) The error occurred while
>>>converting to parameter 3 of "accept(int, sockaddr *, socklen_t *)".
>>>make: 1254-004 The error code from the last command is 1.
>>>I am using xlC version 6.
>>>Many thanks,

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