Task 38671630

Name test_604-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND5140_0
Workunit 31613826
Created 25 Oct 2026, 21:04:34 UTC
Sent 25 Oct 2026, 21:04:36 UTC
Report deadline 30 Oct 2026, 21:04:36 UTC
Received 25 Oct 2026, 23:08:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632067
Run time 1 hours 58 min 17 sec
CPU time 1 hours 53 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,333.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.56 MB
Peak swap size 8.39 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
16:12:52 (17672): wrapper (7.9.26016): starting
16:12:52 (17672): 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
16:12:53 (17672): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:12:53 (17672): 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
18:07:38 (17672): C:/Windows/system32/cmd.exe exited; CPU time 6805.156250
18:07:38 (17672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 117226773 bytes.
Dumping objects ->
{3848799} normal block at 0x000001BA1066DA00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3848788} normal block at 0x000001BA0E875630, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3848777} normal block at 0x000001BA0E8755C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3848766} normal block at 0x000001BA0E8752B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3848755} normal block at 0x000001BA0E8754E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3848724} normal block at 0x000001BA106B95C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3848711} normal block at 0x000001BA0E8706D0, 8 bytes long.
 Data: <  &#229; &#186;   > 00 00 E5 0E BA 01 00 00 
{3847326} normal block at 0x000001BA0E870B80, 8 bytes long.
 Data: < &#248;&#133; &#186;   > 90 F8 85 0E BA 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001BA0E866CB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001BA0E867ED0, 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 0x000001BA0E8765F0, 16 bytes long.
 Data: <&#184;p&#135; &#186;           > B8 70 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BA0E876AF0, 16 bytes long.
 Data: < p&#135; &#186;           > 90 70 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BA0E86E970, 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 0x000001BA0E8764B0, 16 bytes long.
 Data: <hp&#135; &#186;           > 68 70 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BA0E876AA0, 16 bytes long.
 Data: <@p&#135; &#186;           > 40 70 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BA0E875DD0, 16 bytes long.
 Data: < p&#135; &#186;           > 18 70 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BA0E876140, 16 bytes long.
 Data: <&#240;o&#135; &#186;           > F0 6F 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BA0E875470, 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 0x000001BA0E876460, 16 bytes long.
 Data: <&#168; &#134; &#186;           > A8 02 86 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BA0E86EA30, 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 0x000001BA0E8765A0, 16 bytes long.
 Data: <  &#134; &#186;           > 80 02 86 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BA0E8760A0, 16 bytes long.
 Data: <X &#134; &#186;           > 58 02 86 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BA0E876550, 16 bytes long.
 Data: <0 &#134; &#186;           > 30 02 86 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BA0E876BE0, 16 bytes long.
 Data: <  &#134; &#186;           > 08 02 86 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BA0E876050, 16 bytes long.
 Data: <&#224; &#134; &#186;           > E0 01 86 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BA0E876410, 16 bytes long.
 Data: <&#184; &#134; &#186;           > B8 01 86 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BA0E86E910, 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 0x000001BA0E876000, 16 bytes long.
 Data: <  &#134; &#186;           > 90 01 86 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BA0E860190, 320 bytes long.
 Data: < `&#135; &#186;    &#233;&#134; &#186;   > 00 60 87 0E BA 01 00 00 10 E9 86 0E BA 01 00 00 
{278} normal block at 0x000001BA0E876730, 16 bytes long.
 Data: <&#208;o&#135; &#186;           > D0 6F 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BA0E8763C0, 16 bytes long.
 Data: <&#168;o&#135; &#186;           > A8 6F 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BA0E86ED90, 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 0x000001BA0E876280, 16 bytes long.
 Data: < o&#135; &#186;           > 80 6F 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BA0E86F810, 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 0x000001BA0E8762D0, 16 bytes long.
 Data: <&#200;n&#135; &#186;           > C8 6E 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BA0E8760F0, 16 bytes long.
 Data: <&#160;n&#135; &#186;           > A0 6E 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BA0E875FB0, 16 bytes long.
 Data: <xn&#135; &#186;           > 78 6E 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BA0E876500, 16 bytes long.
 Data: <Pn&#135; &#186;           > 50 6E 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BA0E875F10, 16 bytes long.
 Data: <(n&#135; &#186;           > 28 6E 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BA0E876640, 16 bytes long.
 Data: < n&#135; &#186;           > 00 6E 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BA0E876B90, 16 bytes long.
 Data: < S&#135; &#186;           > 20 53 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BA0E875320, 40 bytes long.
 Data: < k&#135; &#186;   &#192;&#149;k &#186;   > 90 6B 87 0E BA 01 00 00 C0 95 6B 10 BA 01 00 00 
{264} normal block at 0x000001BA0E875EC0, 16 bytes long.
 Data: <&#224;m&#135; &#186;           > E0 6D 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BA0E876820, 16 bytes long.
 Data: <&#184;m&#135; &#186;           > B8 6D 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BA0E86F4B0, 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 0x000001BA0E876370, 16 bytes long.
 Data: < m&#135; &#186;           > 90 6D 87 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BA0E876D90, 992 bytes long.
 Data: <pc&#135; &#186;   &#176;&#244;&#134; &#186;   > 70 63 87 0E BA 01 00 00 B0 F4 86 0E BA 01 00 00 
{96} normal block at 0x000001BA0E86F270, 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 0x000001BA0E870860, 16 bytes long.
 Data: <`&#232;&#133; &#186;           > 60 E8 85 0E BA 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001BA0E85E860, 40 bytes long.
 Data: <` &#135; &#186;   p&#242;&#134; &#186;   > 60 08 87 0E BA 01 00 00 70 F2 86 0E BA 01 00 00 
{73} normal block at 0x000001BA0E8705E0, 16 bytes long.
 Data: < &#234;# &#246;           > 80 EA 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001BA0E870B30, 16 bytes long.
 Data: <@&#233;# &#246;           > 40 E9 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BA0E870AE0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BA0E870D60, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BA0E8709F0, 16 bytes long.
 Data: <P   &#246;           > 50 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BA0E870A90, 16 bytes long.
 Data: <0   &#246;           > 30 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BA0E870FE0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BA0E870680, 16 bytes long.
 Data: <    &#246;           > 10 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BA0E8709A0, 16 bytes long.
 Data: <p   &#246;           > 70 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BA0E8712B0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 1E 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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