Task 38667995

Name test_477-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8646_0
Workunit 31610563
Created 25 Oct 2026, 10:14:42 UTC
Sent 25 Oct 2026, 10:14:44 UTC
Report deadline 30 Oct 2026, 10:14:44 UTC
Received 25 Oct 2026, 11:20:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 48 min 7 sec
CPU time 44 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.72 MB
Peak swap size 9.91 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:33:01 (17368): wrapper (7.9.26016): starting
11:33:01 (17368): 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
11:33:02 (17368): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:33:02 (17368): 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 'C:\ProgramData\BOINC\slots\2\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 'C:\ProgramData\BOINC\slots\2\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
12:20:12 (17368): C:/Windows/system32/cmd.exe exited; CPU time 2680.750000
12:20:12 (17368): 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: 35814819 bytes.
Dumping objects ->
{3835234} normal block at 0x000001B9AD23D650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001B9AD23DFF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001B9AD23DE30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001B9AD23E0D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001B9AB475180, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001B9AD288D00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001B9AD29F2E0, 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) : {3835145} normal block at 0x000001B9AB46ECD0, 8 bytes long.
 Data: <  &#178;&#171;&#185;   > 00 00 B2 AB B9 01 00 00 
{3834542} normal block at 0x000001B9AD29EC00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001B9AB46F9F0, 8 bytes long.
 Data: <&#176;&#217;E&#171;&#185;   > B0 D9 45 AB B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B9AB471060, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B9AB466B40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001B9AB476400, 16 bytes long.
 Data: <xiG&#171;&#185;           > 78 69 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B9AB4763B0, 16 bytes long.
 Data: <PiG&#171;&#185;           > 50 69 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B9AB470870, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001B9AB476310, 16 bytes long.
 Data: <(iG&#171;&#185;           > 28 69 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B9AB4762C0, 16 bytes long.
 Data: < iG&#171;&#185;           > 00 69 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B9AB475820, 16 bytes long.
 Data: <&#216;hG&#171;&#185;           > D8 68 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B9AB475780, 16 bytes long.
 Data: <&#176;hG&#171;&#185;           > B0 68 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B9AB474D20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001B9AB475D20, 16 bytes long.
 Data: <&#168;&#232;F&#171;&#185;           > A8 E8 46 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B9AB470510, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001B9AB475B90, 16 bytes long.
 Data: < &#232;F&#171;&#185;           > 80 E8 46 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B9AB476360, 16 bytes long.
 Data: <X&#232;F&#171;&#185;           > 58 E8 46 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B9AB475730, 16 bytes long.
 Data: <0&#232;F&#171;&#185;           > 30 E8 46 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B9AB475A50, 16 bytes long.
 Data: < &#232;F&#171;&#185;           > 08 E8 46 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B9AB476270, 16 bytes long.
 Data: <&#224;&#231;F&#171;&#185;           > E0 E7 46 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B9AB476220, 16 bytes long.
 Data: <&#184;&#231;F&#171;&#185;           > B8 E7 46 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B9AB470390, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001B9AB475D70, 16 bytes long.
 Data: < &#231;F&#171;&#185;           > 90 E7 46 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B9AB46E790, 320 bytes long.
 Data: <p]G&#171;&#185;     G&#171;&#185;   > 70 5D 47 AB B9 01 00 00 90 03 47 AB B9 01 00 00 
{276} normal block at 0x000001B9AB4761D0, 16 bytes long.
 Data: < hG&#171;&#185;           > 90 68 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B9AB476180, 16 bytes long.
 Data: <hhG&#171;&#185;           > 68 68 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B9AB470810, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001B9AB4760E0, 16 bytes long.
 Data: <@hG&#171;&#185;           > 40 68 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B9AB4707B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001B9AB476090, 16 bytes long.
 Data: < gG&#171;&#185;           > 88 67 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B9AB475F50, 16 bytes long.
 Data: <`gG&#171;&#185;           > 60 67 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B9AB475AF0, 16 bytes long.
 Data: <8gG&#171;&#185;           > 38 67 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B9AB476040, 16 bytes long.
 Data: < gG&#171;&#185;           > 10 67 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B9AB475FA0, 16 bytes long.
 Data: <&#232;fG&#171;&#185;           > E8 66 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B9AB475C30, 16 bytes long.
 Data: <&#192;fG&#171;&#185;           > C0 66 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B9AB475BE0, 16 bytes long.
 Data: < MG&#171;&#185;           > 90 4D 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B9AB474D90, 40 bytes long.
 Data: <&#224;[G&#171;&#185;     (&#173;&#185;   > E0 5B 47 AB B9 01 00 00 00 8D 28 AD B9 01 00 00 
{262} normal block at 0x000001B9AB475690, 16 bytes long.
 Data: <&#160;fG&#171;&#185;           > A0 66 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B9AB476540, 16 bytes long.
 Data: <xfG&#171;&#185;           > 78 66 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B9AB470270, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001B9AB4764A0, 16 bytes long.
 Data: <PfG&#171;&#185;           > 50 66 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B9AB476650, 992 bytes long.
 Data: <&#160;dG&#171;&#185;   p G&#171;&#185;   > A0 64 47 AB B9 01 00 00 70 02 47 AB B9 01 00 00 
{94} normal block at 0x000001B9AB4705D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001B9AB46F180, 16 bytes long.
 Data: < JG&#171;&#185;           > 80 4A 47 AB B9 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B9AB474A80, 40 bytes long.
 Data: < &#241;F&#171;&#185;   &#208; G&#171;&#185;   > 80 F1 46 AB B9 01 00 00 D0 05 47 AB B9 01 00 00 
{71} normal block at 0x000001B9AB46F0E0, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B9AB46F130, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B9AB46F4A0, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B9AB46EFA0, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B9AB46F3B0, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B9AB46F770, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B9AB46EB40, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B9AB46EE60, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B9AB46F450, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B9AB46F5E0, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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