Hello,
I am trying to install AmberTools 1.5 (including bugfix.8) and Amber 11
(including bugfix.15) with Intel Compiler 11.1 on a RHEL 5.5 system.
Running the serial tests gives the following error messages
Any help is appreciated.
==============================================================
cd sander_pbsa_frc && ./test
dbf_0.argasp
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_0/argasp/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002AE57A125B2D Unknown Unknown Unknown
libintlc.so.5 00002AE57A124635 Unknown Unknown Unknown
libifcore.so.5 00002AE579C39535 Unknown Unknown Unknown
libifcore.so.5 00002AE579BABA2D Unknown Unknown Unknown
libifcore.so.5 00002AE579BAB1E7 Unknown Unknown Unknown
libifcore.so.5 00002AE579BEE776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.argasp.min: Program error
dbf_0.dadt
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file /data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_0/dadt/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002BA080C9EB2D Unknown Unknown Unknown
libintlc.so.5 00002BA080C9D635 Unknown Unknown Unknown
libifcore.so.5 00002BA0807B2535 Unknown Unknown Unknown
libifcore.so.5 00002BA080724A2D Unknown Unknown Unknown
libifcore.so.5 00002BA0807241E7 Unknown Unknown Unknown
libifcore.so.5 00002BA080767776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.dadt.min: Program error
dbf_0.dgdc
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file /data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_0/dgdc/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002B7BE1759B2D Unknown Unknown Unknown
libintlc.so.5 00002B7BE1758635 Unknown Unknown Unknown
libifcore.so.5 00002B7BE126D535 Unknown Unknown Unknown
libifcore.so.5 00002B7BE11DFA2D Unknown Unknown Unknown
libifcore.so.5 00002B7BE11DF1E7 Unknown Unknown Unknown
libifcore.so.5 00002B7BE1222776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.dgdc.min: Program error
dbf_0.lysasp
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_0/lysasp/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002AD0EBCB9B2D Unknown Unknown Unknown
libintlc.so.5 00002AD0EBCB8635 Unknown Unknown Unknown
libifcore.so.5 00002AD0EB7CD535 Unknown Unknown Unknown
libifcore.so.5 00002AD0EB73FA2D Unknown Unknown Unknown
libifcore.so.5 00002AD0EB73F1E7 Unknown Unknown Unknown
libifcore.so.5 00002AD0EB782776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.lysasp.min: Program error
dbf_0.polyALA
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_0/polyALA/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002B6064364B2D Unknown Unknown Unknown
libintlc.so.5 00002B6064363635 Unknown Unknown Unknown
libifcore.so.5 00002B6063E78535 Unknown Unknown Unknown
libifcore.so.5 00002B6063DEAA2D Unknown Unknown Unknown
libifcore.so.5 00002B6063DEA1E7 Unknown Unknown Unknown
libifcore.so.5 00002B6063E2D776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.polyALA.min: Program error
dbf_0.polyAT
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_0/polyAT/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002B8F358C5B2D Unknown Unknown Unknown
libintlc.so.5 00002B8F358C4635 Unknown Unknown Unknown
libifcore.so.5 00002B8F353D9535 Unknown Unknown Unknown
libifcore.so.5 00002B8F3534BA2D Unknown Unknown Unknown
libifcore.so.5 00002B8F3534B1E7 Unknown Unknown Unknown
libifcore.so.5 00002B8F3538E776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.polyAT.min: Program error
dbf_1.argasp
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_1/argasp/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002B938C706B2D Unknown Unknown Unknown
libintlc.so.5 00002B938C705635 Unknown Unknown Unknown
libifcore.so.5 00002B938C21A535 Unknown Unknown Unknown
libifcore.so.5 00002B938C18CA2D Unknown Unknown Unknown
libifcore.so.5 00002B938C18C1E7 Unknown Unknown Unknown
libifcore.so.5 00002B938C1CF776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.argasp.min: Program error
dbf_1.dadt
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file /data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_1/dadt/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002AEA0106FB2D Unknown Unknown Unknown
libintlc.so.5 00002AEA0106E635 Unknown Unknown Unknown
libifcore.so.5 00002AEA00B83535 Unknown Unknown Unknown
libifcore.so.5 00002AEA00AF5A2D Unknown Unknown Unknown
libifcore.so.5 00002AEA00AF51E7 Unknown Unknown Unknown
libifcore.so.5 00002AEA00B38776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.dadt.min: Program error
dbf_1.dgdc
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file /data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_1/dgdc/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002AC7E3388B2D Unknown Unknown Unknown
libintlc.so.5 00002AC7E3387635 Unknown Unknown Unknown
libifcore.so.5 00002AC7E2E9C535 Unknown Unknown Unknown
libifcore.so.5 00002AC7E2E0EA2D Unknown Unknown Unknown
libifcore.so.5 00002AC7E2E0E1E7 Unknown Unknown Unknown
libifcore.so.5 00002AC7E2E51776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.dgdc.min: Program error
dbf_1.lysasp
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_1/lysasp/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002B2F1FBE4B2D Unknown Unknown Unknown
libintlc.so.5 00002B2F1FBE3635 Unknown Unknown Unknown
libifcore.so.5 00002B2F1F6F8535 Unknown Unknown Unknown
libifcore.so.5 00002B2F1F66AA2D Unknown Unknown Unknown
libifcore.so.5 00002B2F1F66A1E7 Unknown Unknown Unknown
libifcore.so.5 00002B2F1F6AD776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.lysasp.min: Program error
dbf_1.polyALA
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_1/polyALA/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002ADD8CBD4B2D Unknown Unknown Unknown
libintlc.so.5 00002ADD8CBD3635 Unknown Unknown Unknown
libifcore.so.5 00002ADD8C6E8535 Unknown Unknown Unknown
libifcore.so.5 00002ADD8C65AA2D Unknown Unknown Unknown
libifcore.so.5 00002ADD8C65A1E7 Unknown Unknown Unknown
libifcore.so.5 00002ADD8C69D776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.polyALA.min: Program error
dbf_1.polyAT
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_1/polyAT/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002AD7C3EE0B2D Unknown Unknown Unknown
libintlc.so.5 00002AD7C3EDF635 Unknown Unknown Unknown
libifcore.so.5 00002AD7C39F4535 Unknown Unknown Unknown
libifcore.so.5 00002AD7C3966A2D Unknown Unknown Unknown
libifcore.so.5 00002AD7C39661E7 Unknown Unknown Unknown
libifcore.so.5 00002AD7C39A9776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.polyAT.min: Program error
dbf_2.argasp
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_2/argasp/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002AC25BF5DB2D Unknown Unknown Unknown
libintlc.so.5 00002AC25BF5C635 Unknown Unknown Unknown
libifcore.so.5 00002AC25BA71535 Unknown Unknown Unknown
libifcore.so.5 00002AC25B9E3A2D Unknown Unknown Unknown
libifcore.so.5 00002AC25B9E31E7 Unknown Unknown Unknown
libifcore.so.5 00002AC25BA26776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.argasp.min: Program error
dbf_2.dadt
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file /data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_2/dadt/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002AD2D7CADB2D Unknown Unknown Unknown
libintlc.so.5 00002AD2D7CAC635 Unknown Unknown Unknown
libifcore.so.5 00002AD2D77C1535 Unknown Unknown Unknown
libifcore.so.5 00002AD2D7733A2D Unknown Unknown Unknown
libifcore.so.5 00002AD2D77331E7 Unknown Unknown Unknown
libifcore.so.5 00002AD2D7776776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.dadt.min: Program error
dbf_2.dgdc
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file /data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_2/dgdc/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002B551341FB2D Unknown Unknown Unknown
libintlc.so.5 00002B551341E635 Unknown Unknown Unknown
libifcore.so.5 00002B5512F33535 Unknown Unknown Unknown
libifcore.so.5 00002B5512EA5A2D Unknown Unknown Unknown
libifcore.so.5 00002B5512EA51E7 Unknown Unknown Unknown
libifcore.so.5 00002B5512EE8776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.dgdc.min: Program error
dbf_2.lysasp
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_2/lysasp/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002B96F63E3B2D Unknown Unknown Unknown
libintlc.so.5 00002B96F63E2635 Unknown Unknown Unknown
libifcore.so.5 00002B96F5EF7535 Unknown Unknown Unknown
libifcore.so.5 00002B96F5E69A2D Unknown Unknown Unknown
libifcore.so.5 00002B96F5E691E7 Unknown Unknown Unknown
libifcore.so.5 00002B96F5EAC776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.lysasp.min: Program error
dbf_2.polyALA
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_2/polyALA/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002B97875ACB2D Unknown Unknown Unknown
libintlc.so.5 00002B97875AB635 Unknown Unknown Unknown
libifcore.so.5 00002B97870C0535 Unknown Unknown Unknown
libifcore.so.5 00002B9787032A2D Unknown Unknown Unknown
libifcore.so.5 00002B97870321E7 Unknown Unknown Unknown
libifcore.so.5 00002B9787075776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.polyALA.min: Program error
dbf_2.polyAT
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
file
/data1/amber11_1.5_intel/amber11/test/sander_pbsa_frc/dbf_2/polyAT/min.in,
line 10, position 29
Image PC Routine Line Source
libintlc.so.5 00002B3EEF82FB2D Unknown Unknown Unknown
libintlc.so.5 00002B3EEF82E635 Unknown Unknown Unknown
libifcore.so.5 00002B3EEF343535 Unknown Unknown Unknown
libifcore.so.5 00002B3EEF2B5A2D Unknown Unknown Unknown
libifcore.so.5 00002B3EEF2B51E7 Unknown Unknown Unknown
libifcore.so.5 00002B3EEF2F8776 Unknown Unknown Unknown
sander 00000000007B008F Unknown Unknown Unknown
sander 00000000004BB969 Unknown Unknown Unknown
sander 0000000000498A72 Unknown Unknown Unknown
sander 00000000004988EC Unknown Unknown Unknown
sander 000000000040C20C Unknown Unknown Unknown
libc.so.6 0000003B5EC1D994 Unknown Unknown Unknown
sander 000000000040C119 Unknown Unknown Unknown
./Run.polyAT.min: Program error
cd sander_pbsa_decres && ./Run.pbsa_decres
diffing mdout.pbsa_decres.save with mdout.pbsa_decres
possible FAILURE: check mdout.pbsa_decres.dif
==============================================================
Kind regards,
Peter
Dr. Peter Stauffert
Boehringer Ingelheim Pharma GmbH & Co. KG
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Received on Wed Jul 20 2011 - 12:00:02 PDT
