Task 38689153

Name test_755-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9522_0
Workunit 31630428
Created 28 Oct 2026, 18:48:21 UTC
Sent 28 Oct 2026, 18:48:27 UTC
Report deadline 2 Nov 2026, 18:48:27 UTC
Received 28 Oct 2026, 20:46:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625378
Run time 1 hours 56 min 26 sec
CPU time 1 hours 46 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,564.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.62 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:52:28 (2424): wrapper (7.9.26016): starting
08:52:28 (2424): 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
08:52:29 (2424): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:52:29 (2424): 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
10:45:24 (2424): C:/Windows/system32/cmd.exe exited; CPU time 6366.625000
10:45:24 (2424): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 123889969 bytes.
Dumping objects ->
{3835871} normal block at 0x0000013A0163BD30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835860} normal block at 0x0000013A7F86F390, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x0000013A7F86F320, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835838} normal block at 0x0000013A7F86F2B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835827} normal block at 0x0000013A7F86F8D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835796} normal block at 0x0000013A0168A2B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835785} normal block at 0x0000013A7F8B3D50, 120 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) : {3835782} normal block at 0x0000013A7F86E1D0, 8 bytes long.
 Data: <  &#209; :   > 00 00 D1 7F 3A 01 00 00 
{3834849} normal block at 0x0000013A7F8B3750, 120 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 0x0000013A7F86DDC0, 8 bytes long.
 Data: <&#240;&#214;i :   > F0 D6 69 01 3A 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000013A7F8727F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000013A7F8675E0, 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 0x0000013A7F875640, 16 bytes long.
 Data: <he&#135; :           > 68 65 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000013A7F876180, 16 bytes long.
 Data: <@e&#135; :           > 40 65 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000013A7F8709A0, 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 0x0000013A7F876130, 16 bytes long.
 Data: < e&#135; :           > 18 65 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000013A7F875EB0, 16 bytes long.
 Data: <&#240;d&#135; :           > F0 64 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013A7F875780, 16 bytes long.
 Data: <&#200;d&#135; :           > C8 64 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013A7F875550, 16 bytes long.
 Data: <&#160;d&#135; :           > A0 64 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013A7F86F550, 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 0x0000013A7F875DC0, 16 bytes long.
 Data: <&#200;&#252;&#134; :           > C8 FC 86 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013A7F8703A0, 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 0x0000013A7F875500, 16 bytes long.
 Data: <&#160;&#252;&#134; :           > A0 FC 86 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013A7F875910, 16 bytes long.
 Data: <x&#252;&#134; :           > 78 FC 86 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013A7F8759B0, 16 bytes long.
 Data: <P&#252;&#134; :           > 50 FC 86 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013A7F875410, 16 bytes long.
 Data: <(&#252;&#134; :           > 28 FC 86 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013A7F875C80, 16 bytes long.
 Data: < &#252;&#134; :           > 00 FC 86 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013A7F875320, 16 bytes long.
 Data: <&#216;&#251;&#134; :           > D8 FB 86 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013A7F870C40, 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 0x0000013A7F875FF0, 16 bytes long.
 Data: <&#176;&#251;&#134; :           > B0 FB 86 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013A7F86FBB0, 320 bytes long.
 Data: <&#240;_&#135; :   @ &#135; :   > F0 5F 87 7F 3A 01 00 00 40 0C 87 7F 3A 01 00 00 
{281} normal block at 0x0000013A7F8758C0, 16 bytes long.
 Data: < d&#135; :           > 80 64 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013A7F8755F0, 16 bytes long.
 Data: <Xd&#135; :           > 58 64 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013A7F8702E0, 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 0x0000013A7F875730, 16 bytes long.
 Data: <0d&#135; :           > 30 64 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013A7F870580, 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 0x0000013A7F875A00, 16 bytes long.
 Data: <xc&#135; :           > 78 63 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013A7F875870, 16 bytes long.
 Data: <Pc&#135; :           > 50 63 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013A7F8752D0, 16 bytes long.
 Data: <(c&#135; :           > 28 63 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013A7F8761D0, 16 bytes long.
 Data: < c&#135; :           > 00 63 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013A7F8756E0, 16 bytes long.
 Data: <&#216;b&#135; :           > D8 62 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013A7F875370, 16 bytes long.
 Data: <&#176;b&#135; :           > B0 62 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013A7F875AA0, 16 bytes long.
 Data: < &#244;&#134; :           > 00 F4 86 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013A7F86F400, 40 bytes long.
 Data: <&#160;Z&#135; :   &#176;&#162;h :   > A0 5A 87 7F 3A 01 00 00 B0 A2 68 01 3A 01 00 00 
{267} normal block at 0x0000013A7F875F00, 16 bytes long.
 Data: < b&#135; :           > 90 62 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013A7F8760E0, 16 bytes long.
 Data: <hb&#135; :           > 68 62 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013A7F870280, 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 0x0000013A7F875C30, 16 bytes long.
 Data: <@b&#135; :           > 40 62 87 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013A7F876240, 992 bytes long.
 Data: <0\&#135; :     &#135; :   > 30 5C 87 7F 3A 01 00 00 80 02 87 7F 3A 01 00 00 
{99} normal block at 0x0000013A7F870160, 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 0x0000013A7F86DE10, 16 bytes long.
 Data: < &#250;&#133; :           > 90 FA 85 7F 3A 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000013A7F85FA90, 40 bytes long.
 Data: < &#222;&#134; :   ` &#135; :   > 10 DE 86 7F 3A 01 00 00 60 01 87 7F 3A 01 00 00 
{76} normal block at 0x0000013A7F86E180, 16 bytes long.
 Data: < &#234;O&#185;&#247;           > 80 EA 4F B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000013A7F86E4F0, 16 bytes long.
 Data: <@&#233;O&#185;&#247;           > 40 E9 4F B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000013A7F86DC30, 16 bytes long.
 Data: <&#248;WL&#185;&#247;           > F8 57 4C B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000013A7F86DB90, 16 bytes long.
 Data: <&#216;WL&#185;&#247;           > D8 57 4C B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000013A7F86DF50, 16 bytes long.
 Data: <P L&#185;&#247;           > 50 04 4C B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000013A7F86E130, 16 bytes long.
 Data: <0 L&#185;&#247;           > 30 04 4C B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000013A7F86E270, 16 bytes long.
 Data: <&#224; L&#185;&#247;           > E0 02 4C B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013A7F86DFF0, 16 bytes long.
 Data: <  L&#185;&#247;           > 10 04 4C B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013A7F86DD70, 16 bytes long.
 Data: <p L&#185;&#247;           > 70 04 4C B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013A7F86E860, 16 bytes long.
 Data: < &#192;J&#185;&#247;           > 18 C0 4A B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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