Task 38674809

Name test_604-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5140_0
Workunit 31616822
Created 26 Oct 2026, 6:23:36 UTC
Sent 26 Oct 2026, 6:23:44 UTC
Report deadline 31 Oct 2026, 6:23:44 UTC
Received 26 Oct 2026, 7:48:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 29 min 21 sec
CPU time 28 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.71 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:19:04 (4588): wrapper (7.9.26016): starting
08:19:04 (4588): 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
08:19:05 (4588): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:19:05 (4588): 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\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 'C:\ProgramData\BOINC\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
08:47:39 (4588): C:/Windows/system32/cmd.exe exited; CPU time 1724.203125
08:47:39 (4588): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 19941125 bytes.
Dumping objects ->
{3835245} normal block at 0x0000018544040E60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000018544041250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000018544040BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000018544040AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000018544040DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x00000185440EB190, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x00000185425297D0, 140 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) : {3835156} normal block at 0x00000185424C7340, 8 bytes long.
 Data: <  JB&#133;   > 00 00 4A 42 85 01 00 00 
{3834558} normal block at 0x0000018542529B10, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x00000185424C7430, 8 bytes long.
 Data: <pt D&#133;   > 70 74 14 44 85 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000185424D1120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000185424B5DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000185424D2430, 16 bytes long.
 Data: < 8MB&#133;           > 98 38 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000185424D22A0, 16 bytes long.
 Data: <p8MB&#133;           > 70 38 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000185424CCCD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000185424D2890, 16 bytes long.
 Data: <H8MB&#133;           > 48 38 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000185424D27F0, 16 bytes long.
 Data: < 8MB&#133;           > 20 38 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000185424D2A20, 16 bytes long.
 Data: <&#248;7MB&#133;           > F8 37 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000185424D2B60, 16 bytes long.
 Data: <&#208;7MB&#133;           > D0 37 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000185424CB4A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000185424D23E0, 16 bytes long.
 Data: <H]KB&#133;           > 48 5D 4B 42 85 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000185424CC8B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000185424D21B0, 16 bytes long.
 Data: < ]KB&#133;           > 20 5D 4B 42 85 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000185424D2700, 16 bytes long.
 Data: <&#248;\KB&#133;           > F8 5C 4B 42 85 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000185424D3010, 16 bytes long.
 Data: <&#208;\KB&#133;           > D0 5C 4B 42 85 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000185424D29D0, 16 bytes long.
 Data: <&#168;\KB&#133;           > A8 5C 4B 42 85 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000185424D2570, 16 bytes long.
 Data: < \KB&#133;           > 80 5C 4B 42 85 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000185424D2250, 16 bytes long.
 Data: <X\KB&#133;           > 58 5C 4B 42 85 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000185424CD7B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000185424D2AC0, 16 bytes long.
 Data: <0\KB&#133;           > 30 5C 4B 42 85 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000185424B5C30, 320 bytes long.
 Data: <&#192;*MB&#133;   &#176;&#215;LB&#133;   > C0 2A 4D 42 85 01 00 00 B0 D7 4C 42 85 01 00 00 
{279} normal block at 0x00000185424D2F70, 16 bytes long.
 Data: <&#176;7MB&#133;           > B0 37 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000185424D27A0, 16 bytes long.
 Data: < 7MB&#133;           > 88 37 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000185424CD6F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000185424D25C0, 16 bytes long.
 Data: <`7MB&#133;           > 60 37 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000185424CC910, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000185424D3060, 16 bytes long.
 Data: <&#168;6MB&#133;           > A8 36 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000185424D2ED0, 16 bytes long.
 Data: < 6MB&#133;           > 80 36 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000185424D2930, 16 bytes long.
 Data: <X6MB&#133;           > 58 36 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000185424D22F0, 16 bytes long.
 Data: <06MB&#133;           > 30 36 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000185424D2980, 16 bytes long.
 Data: < 6MB&#133;           > 08 36 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000185424D2E30, 16 bytes long.
 Data: <&#224;5MB&#133;           > E0 35 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000185424D2390, 16 bytes long.
 Data: <&#208;&#182;LB&#133;           > D0 B6 4C 42 85 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000185424CB6D0, 40 bytes long.
 Data: < #MB&#133;    &#177; D&#133;   > 90 23 4D 42 85 01 00 00 90 B1 0E 44 85 01 00 00 
{265} normal block at 0x00000185424D2B10, 16 bytes long.
 Data: <&#192;5MB&#133;           > C0 35 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000185424D2D40, 16 bytes long.
 Data: < 5MB&#133;           > 98 35 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000185424CCF10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000185424D2CA0, 16 bytes long.
 Data: <p5MB&#133;           > 70 35 4D 42 85 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000185424D3570, 992 bytes long.
 Data: <&#160;,MB&#133;    &#207;LB&#133;   > A0 2C 4D 42 85 01 00 00 10 CF 4C 42 85 01 00 00 
{97} normal block at 0x00000185424CCA90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000185424C7070, 16 bytes long.
 Data: <&#240;&#181;LB&#133;           > F0 B5 4C 42 85 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000185424CB5F0, 40 bytes long.
 Data: <ppLB&#133;    &#202;LB&#133;   > 70 70 4C 42 85 01 00 00 90 CA 4C 42 85 01 00 00 
{74} normal block at 0x00000185424C72F0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000185424C6BC0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000185424C6E90, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000185424C6AD0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000185424C6760, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000185424C69E0, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000185424C7250, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000185424C6990, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000185424C6E40, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000185424C71B0, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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