Task 38689041

Name test_452-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3426_0
Workunit 31630322
Created 28 Oct 2026, 17:52:13 UTC
Sent 28 Oct 2026, 17:52:14 UTC
Report deadline 2 Nov 2026, 17:52:14 UTC
Received 28 Oct 2026, 19:57:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642289
Run time 1 hours 2 min 19 sec
CPU time 58 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.74 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:56:37 (5796): wrapper (7.9.26016): starting
14:56:37 (5796): 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
14:56:39 (5796): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:56:39 (5796): 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\11\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\11\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
15:57:07 (5796): C:/Windows/system32/cmd.exe exited; CPU time 3502.234375
15:57:07 (5796): 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: 75191753 bytes.
Dumping objects ->
{3835525} normal block at 0x000002896D2FE360, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000002896D2FE050, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x000002896D2FE440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x000002896D2FE910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000002896D2FE600, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x000002896EE4E060, 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) : {3835437} normal block at 0x000002896D21E6C0, 8 bytes long.
 Data: <   m&#137;   > 00 00 1D 6D 89 02 00 00 
{3833969} normal block at 0x000002896D21E530, 8 bytes long.
 Data: < R"m&#137;   > 20 52 22 6D 89 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002896D221650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002896D216580, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002896D226260, 16 bytes long.
 Data: <&#216;q"m&#137;           > D8 71 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002896D226670, 16 bytes long.
 Data: <&#176;q"m&#137;           > B0 71 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002896D21FAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002896D226800, 16 bytes long.
 Data: < q"m&#137;           > 88 71 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002896D226C10, 16 bytes long.
 Data: <`q"m&#137;           > 60 71 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002896D226A80, 16 bytes long.
 Data: <8q"m&#137;           > 38 71 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002896D226490, 16 bytes long.
 Data: < q"m&#137;           > 10 71 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002896D224740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002896D226BC0, 16 bytes long.
 Data: <&#168;Z"m&#137;           > A8 5A 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002896D21F500, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002896D226620, 16 bytes long.
 Data: < Z"m&#137;           > 80 5A 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002896D2263A0, 16 bytes long.
 Data: <XZ"m&#137;           > 58 5A 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002896D226D00, 16 bytes long.
 Data: <0Z"m&#137;           > 30 5A 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002896D2265D0, 16 bytes long.
 Data: < Z"m&#137;           > 08 5A 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002896D226940, 16 bytes long.
 Data: <&#224;Y"m&#137;           > E0 59 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002896D226440, 16 bytes long.
 Data: <&#184;Y"m&#137;           > B8 59 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002896D21F920, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002896D226210, 16 bytes long.
 Data: < Y"m&#137;           > 90 59 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002896D225990, 320 bytes long.
 Data: < b"m&#137;    &#249;!m&#137;   > 10 62 22 6D 89 02 00 00 20 F9 21 6D 89 02 00 00 
{280} normal block at 0x000002896D225F40, 16 bytes long.
 Data: <&#240;p"m&#137;           > F0 70 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002896D226030, 16 bytes long.
 Data: <&#200;p"m&#137;           > C8 70 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002896D220100, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002896D2267B0, 16 bytes long.
 Data: <&#160;p"m&#137;           > A0 70 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002896D220040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002896D226580, 16 bytes long.
 Data: <&#232;o"m&#137;           > E8 6F 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002896D225EF0, 16 bytes long.
 Data: <&#192;o"m&#137;           > C0 6F 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002896D226530, 16 bytes long.
 Data: < o"m&#137;           > 98 6F 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002896D226B20, 16 bytes long.
 Data: <po"m&#137;           > 70 6F 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002896D226760, 16 bytes long.
 Data: <Ho"m&#137;           > 48 6F 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002896D2261C0, 16 bytes long.
 Data: < o"m&#137;           > 20 6F 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002896D226DA0, 16 bytes long.
 Data: < E"m&#137;           > 80 45 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002896D224580, 40 bytes long.
 Data: <&#160;m"m&#137;   `&#224;&#228;n&#137;   > A0 6D 22 6D 89 02 00 00 60 E0 E4 6E 89 02 00 00 
{266} normal block at 0x000002896D226B70, 16 bytes long.
 Data: < o"m&#137;           > 00 6F 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002896D225FE0, 16 bytes long.
 Data: <&#216;n"m&#137;           > D8 6E 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002896D21F5C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002896D2263F0, 16 bytes long.
 Data: <&#176;n"m&#137;           > B0 6E 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002896D226EB0, 992 bytes long.
 Data: <&#240;c"m&#137;   &#192;&#245;!m&#137;   > F0 63 22 6D 89 02 00 00 C0 F5 21 6D 89 02 00 00 
{98} normal block at 0x000002896D21FDA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002896D21DE50, 16 bytes long.
 Data: <&#192;C"m&#137;           > C0 43 22 6D 89 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002896D2243C0, 40 bytes long.
 Data: <P&#222;!m&#137;   &#160;&#253;!m&#137;   > 50 DE 21 6D 89 02 00 00 A0 FD 21 6D 89 02 00 00 
{75} normal block at 0x000002896D21E0D0, 16 bytes long.
 Data: < &#234;&#208;P&#247;           > 80 EA D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002896D21DCC0, 16 bytes long.
 Data: <@&#233;&#208;P&#247;           > 40 E9 D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002896D21E080, 16 bytes long.
 Data: <&#248;W&#205;P&#247;           > F8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002896D21DD60, 16 bytes long.
 Data: <&#216;W&#205;P&#247;           > D8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002896D21DEF0, 16 bytes long.
 Data: <P &#205;P&#247;           > 50 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002896D21E2B0, 16 bytes long.
 Data: <0 &#205;P&#247;           > 30 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002896D21E670, 16 bytes long.
 Data: <&#224; &#205;P&#247;           > E0 02 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002896D21D900, 16 bytes long.
 Data: <  &#205;P&#247;           > 10 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002896D21DA40, 16 bytes long.
 Data: <p &#205;P&#247;           > 70 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002896D21DF40, 16 bytes long.
 Data: < &#192;&#203;P&#247;           > 18 C0 CB 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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