Task 38686193

Name test_142-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0602_0
Workunit 31627631
Created 28 Oct 2026, 1:11:41 UTC
Sent 28 Oct 2026, 1:11:45 UTC
Report deadline 2 Nov 2026, 1:11:45 UTC
Received 28 Oct 2026, 1:57:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 19 min 31 sec
CPU time 17 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.94 MB
Peak swap size 8.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:38:22 (38088): wrapper (7.9.26016): starting
02:38:22 (38088): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
02:38:23 (38088): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:38:23 (38088): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'G:\PROGRAM1\BOINC\DATA\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'G:\PROGRAM1\BOINC\DATA\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
02:57:20 (38088): C:/Windows/system32/cmd.exe exited; CPU time 1020.187500
02:57:20 (38088): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 20368317 bytes.
Dumping objects ->
{3835289} normal block at 0x000001B8160CA1E0, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x000001B8160CA560, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x000001B8160A4E00, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x000001B8160A5420, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x000001B8160A53B0, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x000001B817E34F30, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x000001B817E4F3C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835200} normal block at 0x000001B81609DF40, 8 bytes long.
 Data: <    &#184;   > 00 00 06 16 B8 01 00 00 
{3834573} normal block at 0x000001B817E4F310, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001B81609D6D0, 8 bytes long.
 Data: <P_&#233; &#184;   > 50 5F E9 17 B8 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001B8160A1BF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B8160962D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001B8160A60D0, 16 bytes long.
 Data: < l  &#184;           > 88 6C 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B8160A6580, 16 bytes long.
 Data: <`l  &#184;           > 60 6C 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B81609FA40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001B8160A64E0, 16 bytes long.
 Data: <8l  &#184;           > 38 6C 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B8160A6030, 16 bytes long.
 Data: < l  &#184;           > 10 6C 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B8160A6490, 16 bytes long.
 Data: <&#232;k  &#184;           > E8 6B 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B8160A5FE0, 16 bytes long.
 Data: <&#192;k  &#184;           > C0 6B 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B8160A5110, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001B8160A6440, 16 bytes long.
 Data: < &#147;	 &#184;           > 98 93 09 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B81609FE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001B8160A5F40, 16 bytes long.
 Data: <p&#147;	 &#184;           > 70 93 09 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B8160A66C0, 16 bytes long.
 Data: <H&#147;	 &#184;           > 48 93 09 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B8160A5EF0, 16 bytes long.
 Data: < &#147;	 &#184;           > 20 93 09 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B8160A63F0, 16 bytes long.
 Data: <&#248;&#146;	 &#184;           > F8 92 09 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B8160A5B30, 16 bytes long.
 Data: <&#208;&#146;	 &#184;           > D0 92 09 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B8160A68A0, 16 bytes long.
 Data: <&#168;&#146;	 &#184;           > A8 92 09 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B81609FD40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001B8160A5C20, 16 bytes long.
 Data: < &#146;	 &#184;           > 80 92 09 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B816099280, 320 bytes long.
 Data: < \  &#184;   @&#253;	 &#184;   > 20 5C 0A 16 B8 01 00 00 40 FD 09 16 B8 01 00 00 
{278} normal block at 0x000001B8160A5BD0, 16 bytes long.
 Data: <&#160;k  &#184;           > A0 6B 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B8160A6080, 16 bytes long.
 Data: <xk  &#184;           > 78 6B 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B81609FCE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001B8160A6260, 16 bytes long.
 Data: <Pk  &#184;           > 50 6B 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B81609FB60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001B8160A5F90, 16 bytes long.
 Data: < j  &#184;           > 98 6A 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B8160A6210, 16 bytes long.
 Data: <pj  &#184;           > 70 6A 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B8160A5E00, 16 bytes long.
 Data: <Hj  &#184;           > 48 6A 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B8160A61C0, 16 bytes long.
 Data: < j  &#184;           > 20 6A 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B8160A63A0, 16 bytes long.
 Data: <&#248;i  &#184;           > F8 69 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B8160A6530, 16 bytes long.
 Data: <&#208;i  &#184;           > D0 69 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B8160A6350, 16 bytes long.
 Data: <@S  &#184;           > 40 53 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B8160A5340, 40 bytes long.
 Data: <Pc  &#184;   0O&#227; &#184;   > 50 63 0A 16 B8 01 00 00 30 4F E3 17 B8 01 00 00 
{264} normal block at 0x000001B8160A5E50, 16 bytes long.
 Data: <&#176;i  &#184;           > B0 69 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B8160A62B0, 16 bytes long.
 Data: < i  &#184;           > 88 69 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B81609F320, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001B8160A6850, 16 bytes long.
 Data: <`i  &#184;           > 60 69 0A 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B8160A6960, 992 bytes long.
 Data: <Ph  &#184;    &#243;	 &#184;   > 50 68 0A 16 B8 01 00 00 20 F3 09 16 B8 01 00 00 
{96} normal block at 0x000001B81609FC80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001B81609DF90, 16 bytes long.
 Data: <P&#227;  &#184;           > 50 E3 08 16 B8 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001B81608E350, 40 bytes long.
 Data: < &#223;	 &#184;    &#252;	 &#184;   > 90 DF 09 16 B8 01 00 00 80 FC 09 16 B8 01 00 00 
{73} normal block at 0x000001B81609DEA0, 16 bytes long.
 Data: < &#234;&#245;7&#246;           > 80 EA F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B81609DD60, 16 bytes long.
 Data: <@&#233;&#245;7&#246;           > 40 E9 F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B81609DB30, 16 bytes long.
 Data: <&#248;W&#242;7&#246;           > F8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B81609E210, 16 bytes long.
 Data: <&#216;W&#242;7&#246;           > D8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B81609D810, 16 bytes long.
 Data: <P &#242;7&#246;           > 50 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B81609DAE0, 16 bytes long.
 Data: <0 &#242;7&#246;           > 30 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B81609DA90, 16 bytes long.
 Data: <&#224; &#242;7&#246;           > E0 02 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B81609E300, 16 bytes long.
 Data: <  &#242;7&#246;           > 10 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B81609D950, 16 bytes long.
 Data: <p &#242;7&#246;           > 70 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B81609DA40, 16 bytes long.
 Data: < &#192;&#240;7&#246;           > 18 C0 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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