Task 38678748

Name test_444-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND5355_0
Workunit 31620554
Created 26 Oct 2026, 18:24:00 UTC
Sent 26 Oct 2026, 18:24:06 UTC
Report deadline 31 Oct 2026, 18:24:06 UTC
Received 26 Oct 2026, 20:03:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 32 min 36 sec
CPU time 30 min 37 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 720.96 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:31:55 (29912): wrapper (7.9.26016): starting
15:31:55 (29912): 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
15:31:56 (29912): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:31:56 (29912): 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
16:03:20 (29912): C:/Windows/system32/cmd.exe exited; CPU time 1837.859375
16:03:20 (29912): 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: 39937974 bytes.
Dumping objects ->
{3835291} normal block at 0x0000020EB2BC7950, 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 0x0000020EB2BC7A30, 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 0x0000020EB2BC7E20, 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 0x0000020EB2BC8360, 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 0x0000020EB2BC7CD0, 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 0x0000020EB4C4A610, 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 0x0000020EB4C5D6B0, 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 0x0000020EB2BA4FB0, 8 bytes long.
 Data: <   &#179;    > 00 00 04 B3 0E 02 00 00 
{3834578} normal block at 0x0000020EB4C5C350, 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 0x0000020EB2BA4B00, 8 bytes long.
 Data: <`&#231;&#177;&#180;    > 60 E7 B1 B4 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000020EB2B94B50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000020EB2B57030, 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 0x0000020EB2BA4AB0, 16 bytes long.
 Data: < F&#186;&#178;            > 98 46 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020EB2BA49C0, 16 bytes long.
 Data: <pF&#186;&#178;            > 70 46 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020EB2B9C750, 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 0x0000020EB2BA4C90, 16 bytes long.
 Data: <HF&#186;&#178;            > 48 46 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020EB2BA5460, 16 bytes long.
 Data: < F&#186;&#178;            > 20 46 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020EB2BA4E20, 16 bytes long.
 Data: <&#248;E&#186;&#178;            > F8 45 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020EB2BA0870, 16 bytes long.
 Data: <&#208;E&#186;&#178;            > D0 45 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020EB2B9E640, 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 0x0000020EB2BA0820, 16 bytes long.
 Data: <&#168;@&#186;&#178;            > A8 40 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020EB2B9C5D0, 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 0x0000020EB2BA06E0, 16 bytes long.
 Data: < @&#186;&#178;            > 80 40 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020EB2BA0690, 16 bytes long.
 Data: <X@&#186;&#178;            > 58 40 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020EB2BA0550, 16 bytes long.
 Data: <0@&#186;&#178;            > 30 40 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020EB2BA0500, 16 bytes long.
 Data: < @&#186;&#178;            > 08 40 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020EB2BA04B0, 16 bytes long.
 Data: <&#224;?&#186;&#178;            > E0 3F BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020EB2BA0460, 16 bytes long.
 Data: <&#184;?&#186;&#178;            > B8 3F BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020EB2B9C390, 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 0x0000020EB2BA0050, 16 bytes long.
 Data: < ?&#186;&#178;            > 90 3F BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020EB2BA3F90, 320 bytes long.
 Data: <P &#186;&#178;     &#195;&#185;&#178;    > 50 00 BA B2 0E 02 00 00 90 C3 B9 B2 0E 02 00 00 
{281} normal block at 0x0000020EB2BA0A00, 16 bytes long.
 Data: <&#176;E&#186;&#178;            > B0 45 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020EB2B9FC90, 16 bytes long.
 Data: < E&#186;&#178;            > 88 45 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020EB2B9C330, 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 0x0000020EB2B9FC40, 16 bytes long.
 Data: <`E&#186;&#178;            > 60 45 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020EB2B9C6F0, 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 0x0000020EB2BA0AA0, 16 bytes long.
 Data: <&#168;D&#186;&#178;            > A8 44 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020EB2BA09B0, 16 bytes long.
 Data: < D&#186;&#178;            > 80 44 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020EB2B9FBA0, 16 bytes long.
 Data: <XD&#186;&#178;            > 58 44 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020EB2B9FBF0, 16 bytes long.
 Data: <0D&#186;&#178;            > 30 44 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020EB2BA0190, 16 bytes long.
 Data: < D&#186;&#178;            > 08 44 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020EB2BA03C0, 16 bytes long.
 Data: <&#224;C&#186;&#178;            > E0 43 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020EB2BA0960, 16 bytes long.
 Data: <&#192;&#226;&#185;&#178;            > C0 E2 B9 B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020EB2B9E2C0, 40 bytes long.
 Data: <`	&#186;&#178;     &#166;&#196;&#180;    > 60 09 BA B2 0E 02 00 00 10 A6 C4 B4 0E 02 00 00 
{267} normal block at 0x0000020EB2BA0230, 16 bytes long.
 Data: <&#192;C&#186;&#178;            > C0 43 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020EB2BA00F0, 16 bytes long.
 Data: < C&#186;&#178;            > 98 43 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020EB2B9C8D0, 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 0x0000020EB2BA00A0, 16 bytes long.
 Data: <pC&#186;&#178;            > 70 43 BA B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020EB2BA4370, 992 bytes long.
 Data: <&#160; &#186;&#178;    &#208;&#200;&#185;&#178;    > A0 00 BA B2 0E 02 00 00 D0 C8 B9 B2 0E 02 00 00 
{99} normal block at 0x0000020EB2B9C510, 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 0x0000020EB2BA0370, 16 bytes long.
 Data: <0&#227;&#185;&#178;            > 30 E3 B9 B2 0E 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000020EB2B9E330, 40 bytes long.
 Data: <p &#186;&#178;     &#197;&#185;&#178;    > 70 03 BA B2 0E 02 00 00 10 C5 B9 B2 0E 02 00 00 
{76} normal block at 0x0000020EB2BA0410, 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 0x0000020EB2B9FD80, 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 0x0000020EB2BA02D0, 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 0x0000020EB2B9FEC0, 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 0x0000020EB2BA0730, 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 0x0000020EB2BA0910, 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 0x0000020EB2B9FCE0, 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 0x0000020EB2BA0280, 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 0x0000020EB2BA01E0, 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 0x0000020EB2BA0320, 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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