Task 38679115

Name test_197-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND9216_0
Workunit 31620906
Created 26 Oct 2026, 19:31:11 UTC
Sent 26 Oct 2026, 19:31:12 UTC
Report deadline 31 Oct 2026, 19:31:12 UTC
Received 26 Oct 2026, 21:43:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 33 min 47 sec
CPU time 31 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.61 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:10:28 (11060): wrapper (7.9.26016): starting
17:10:28 (11060): 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
17:10:29 (11060): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:10:29 (11060): 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\31\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\31\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
17:43:03 (11060): C:/Windows/system32/cmd.exe exited; CPU time 1876.937500
17:43:03 (11060): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 41441620 bytes.
Dumping objects ->
{3835291} normal block at 0x0000021884254590, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x0000021884254D00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000021884254F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x0000021884254440, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000021884254D70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x00000218842213A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000002188600B940, 85 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) : {3835202} normal block at 0x0000021884256640, 8 bytes long.
 Data: <  a&#132;    > 00 00 61 84 18 02 00 00 
{3834578} normal block at 0x000002188600A4A0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000021884255D80, 8 bytes long.
 Data: <p&#235;.&#132;    > 70 EB 2E 84 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002188424AFC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000218842067C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000021884255C90, 16 bytes long.
 Data: <HV%&#132;            > 48 56 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021884255E20, 16 bytes long.
 Data: < V%&#132;            > 20 56 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002188424D9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000021884255790, 16 bytes long.
 Data: <&#248;U%&#132;            > F8 55 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021884255A10, 16 bytes long.
 Data: <&#208;U%&#132;            > D0 55 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021884255D30, 16 bytes long.
 Data: <&#168;U%&#132;            > A8 55 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021884250A40, 16 bytes long.
 Data: < U%&#132;            > 80 55 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021884254980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000218842508B0, 16 bytes long.
 Data: < O"&#132;            > 18 4F 22 84 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002188424D770, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000021884250630, 16 bytes long.
 Data: <&#240;N"&#132;            > F0 4E 22 84 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021884250810, 16 bytes long.
 Data: <&#200;N"&#132;            > C8 4E 22 84 18 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021884250860, 16 bytes long.
 Data: <&#160;N"&#132;            > A0 4E 22 84 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000218842509F0, 16 bytes long.
 Data: <xN"&#132;            > 78 4E 22 84 18 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021884250720, 16 bytes long.
 Data: <PN"&#132;            > 50 4E 22 84 18 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021884250E00, 16 bytes long.
 Data: <(N"&#132;            > 28 4E 22 84 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002188424D4D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000218842500E0, 16 bytes long.
 Data: < N"&#132;            > 00 4E 22 84 18 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021884224E00, 320 bytes long.
 Data: <&#224; %&#132;    &#208;&#212;$&#132;    > E0 00 25 84 18 02 00 00 D0 D4 24 84 18 02 00 00 
{281} normal block at 0x0000021884250540, 16 bytes long.
 Data: <`U%&#132;            > 60 55 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000218842509A0, 16 bytes long.
 Data: <8U%&#132;            > 38 55 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002188424D710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000218842505E0, 16 bytes long.
 Data: < U%&#132;            > 10 55 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002188424CDB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000218842506D0, 16 bytes long.
 Data: <XT%&#132;            > 58 54 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021884250770, 16 bytes long.
 Data: <0T%&#132;            > 30 54 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021884250450, 16 bytes long.
 Data: < T%&#132;            > 08 54 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000218842503B0, 16 bytes long.
 Data: <&#224;S%&#132;            > E0 53 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021884250270, 16 bytes long.
 Data: <&#184;S%&#132;            > B8 53 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021884250950, 16 bytes long.
 Data: < S%&#132;            > 90 53 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021884250EF0, 16 bytes long.
 Data: <&#208;J%&#132;            > D0 4A 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021884254AD0, 40 bytes long.
 Data: <&#240; %&#132;    &#160; "&#132;    > F0 0E 25 84 18 02 00 00 A0 13 22 84 18 02 00 00 
{267} normal block at 0x0000021884250EA0, 16 bytes long.
 Data: <pS%&#132;            > 70 53 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021884250C70, 16 bytes long.
 Data: <HS%&#132;            > 48 53 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002188424CD50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000021884250220, 16 bytes long.
 Data: < S%&#132;            > 20 53 25 84 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021884255320, 992 bytes long.
 Data: <  %&#132;    P&#205;$&#132;    > 20 02 25 84 18 02 00 00 50 CD 24 84 18 02 00 00 
{99} normal block at 0x000002188424D3B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000218842504A0, 16 bytes long.
 Data: <`t$&#132;            > 60 74 24 84 18 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000021884247460, 40 bytes long.
 Data: <&#160; %&#132;    &#176;&#211;$&#132;    > A0 04 25 84 18 02 00 00 B0 D3 24 84 18 02 00 00 
{76} normal block at 0x0000021884250DB0, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000021884250A90, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000021884250090, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000218842507C0, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021884250B80, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021884250C20, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000218842504F0, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021884250D60, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021884250680, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021884250F90, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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