Task 38684323

Name test_617-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6683_0
Workunit 31625842
Created 27 Oct 2026, 15:49:00 UTC
Sent 27 Oct 2026, 15:49:02 UTC
Report deadline 1 Nov 2026, 15:49:02 UTC
Received 27 Oct 2026, 16:29:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 32 min 44 sec
CPU time 31 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.59 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:51:42 (22960): wrapper (7.9.26016): starting
17:51:42 (22960): 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
17:51:44 (22960): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:51:44 (22960): 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\24\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\24\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
18:28:38 (22960): C:/Windows/system32/cmd.exe exited; CPU time 1918.031250
18:28:38 (22960): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 27066807 bytes.
Dumping objects ->
{3835255} normal block at 0x00000175486079E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000017548606E80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000017548607970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000017548606EF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000017548607BA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000001754A3B08D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000001754A3FFA00, 180 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) : {3835166} normal block at 0x00000175485D5AF0, 8 bytes long.
 Data: <  [Hu   > 00 00 5B 48 75 01 00 00 
{3834558} normal block at 0x000001754A3FF460, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000175485D6590, 8 bytes long.
 Data: <0&#229;kHu   > 30 E5 6B 48 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000175485E25C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000175485E3640, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000175485E3880, 16 bytes long.
 Data: <&#216;K^Hu           > D8 4B 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000175485E3830, 16 bytes long.
 Data: <&#176;K^Hu           > B0 4B 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000175485DA470, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000175485E3C40, 16 bytes long.
 Data: < K^Hu           > 88 4B 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000175485E4140, 16 bytes long.
 Data: <`K^Hu           > 60 4B 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000175485E3740, 16 bytes long.
 Data: <8K^Hu           > 38 4B 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000175485E4050, 16 bytes long.
 Data: < K^Hu           > 10 4B 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000175485D8450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000175485E43C0, 16 bytes long.
 Data: <&#216;5^Hu           > D8 35 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000175485DA7D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000175485E4690, 16 bytes long.
 Data: <&#176;5^Hu           > B0 35 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000175485E4370, 16 bytes long.
 Data: < 5^Hu           > 88 35 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000175485E4000, 16 bytes long.
 Data: <`5^Hu           > 60 35 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000175485E38D0, 16 bytes long.
 Data: <85^Hu           > 38 35 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000175485E3B50, 16 bytes long.
 Data: < 5^Hu           > 10 35 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000175485E4640, 16 bytes long.
 Data: <&#232;4^Hu           > E8 34 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000175485D9F90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000175485E40F0, 16 bytes long.
 Data: <&#192;4^Hu           > C0 34 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000175485E34C0, 320 bytes long.
 Data: <&#240;@^Hu   &#144;&#159;]Hu   > F0 40 5E 48 75 01 00 00 90 9F 5D 48 75 01 00 00 
{273} normal block at 0x00000175485E3FB0, 16 bytes long.
 Data: <&#240;J^Hu           > F0 4A 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000175485E45F0, 16 bytes long.
 Data: <&#200;J^Hu           > C8 4A 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000175485DA3B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000175485E3F10, 16 bytes long.
 Data: <&#160;J^Hu           > A0 4A 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000175485D9B70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000175485E3EC0, 16 bytes long.
 Data: <&#232;I^Hu           > E8 49 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000175485E40A0, 16 bytes long.
 Data: <&#192;I^Hu           > C0 49 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000175485E37E0, 16 bytes long.
 Data: < I^Hu           > 98 49 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000175485E3D30, 16 bytes long.
 Data: <pI^Hu           > 70 49 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000175485E3CE0, 16 bytes long.
 Data: <HI^Hu           > 48 49 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000175485E3790, 16 bytes long.
 Data: < I^Hu           > 20 49 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000175485E45A0, 16 bytes long.
 Data: <@&#129;]Hu           > 40 81 5D 48 75 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000175485D8140, 40 bytes long.
 Data: <&#160;E^Hu   &#208; ;Ju   > A0 45 5E 48 75 01 00 00 D0 08 3B 4A 75 01 00 00 
{259} normal block at 0x00000175485E4320, 16 bytes long.
 Data: < I^Hu           > 00 49 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000175485E4230, 16 bytes long.
 Data: <&#216;H^Hu           > D8 48 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000175485DA5F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000175485E3E20, 16 bytes long.
 Data: <&#176;H^Hu           > B0 48 5E 48 75 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000175485E48B0, 992 bytes long.
 Data: < >^Hu   &#240;&#165;]Hu   > 20 3E 5E 48 75 01 00 00 F0 A5 5D 48 75 01 00 00 
{91} normal block at 0x00000175485DA110, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000175485D5AA0, 16 bytes long.
 Data: < &#131;]Hu           > 00 83 5D 48 75 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000175485D8300, 40 bytes long.
 Data: <&#160;Z]Hu    &#161;]Hu   > A0 5A 5D 48 75 01 00 00 10 A1 5D 48 75 01 00 00 
{68} normal block at 0x00000175485D61D0, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000175485D5730, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000175485D63B0, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000175485D6130, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000175485D5870, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000175485D5BE0, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000175485D5FF0, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000175485D59B0, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000175485D5690, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000175485D5A00, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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