Task 38679326

Name test_380-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND5402_0
Workunit 31621102
Created 26 Oct 2026, 20:11:59 UTC
Sent 26 Oct 2026, 20:12:01 UTC
Report deadline 31 Oct 2026, 20:12:01 UTC
Received 26 Oct 2026, 20:38:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 26 min 12 sec
CPU time 25 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.60 MB
Peak swap size 6.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
16:13:06 (25880): wrapper (7.9.26016): starting
16:13:06 (25880): 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
16:13:07 (25880): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:13:07 (25880): 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
16:38:26 (25880): C:/Windows/system32/cmd.exe exited; CPU time 1501.562500
16:38:26 (25880): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 27135071 bytes.
Dumping objects ->
{3835542} normal block at 0x000002806AF465E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000002806AF462D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x000002806AF46500, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x000002806AF46730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x000002806AF461F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x000002806CAAA570, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000002806CABEA20, 102 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) : {3835453} normal block at 0x000002806AF3DD80, 8 bytes long.
 Data: <  =k    > 00 00 3D 6B 80 02 00 00 
{3834690} normal block at 0x000002806CABE970, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002806AF3D3D0, 8 bytes long.
 Data: <0&#224;&#171;l    > 30 E0 AB 6C 80 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002806AF41810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002806AF35EC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002806AF458B0, 16 bytes long.
 Data: <&#168;`&#244;j            > A8 60 F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002806AF45680, 16 bytes long.
 Data: < `&#244;j            > 80 60 F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002806AF3FA50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002806AF45630, 16 bytes long.
 Data: <X`&#244;j            > 58 60 F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002806AF45040, 16 bytes long.
 Data: <0`&#244;j            > 30 60 F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002806AF45A90, 16 bytes long.
 Data: < `&#244;j            > 08 60 F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002806AF45360, 16 bytes long.
 Data: <&#224;_&#244;j            > E0 5F F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002806AF467A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002806AF459A0, 16 bytes long.
 Data: <  &#243;j            > 08 8F F3 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002806AF3F4B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002806AF45590, 16 bytes long.
 Data: <&#224;&#142;&#243;j            > E0 8E F3 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002806AF45A40, 16 bytes long.
 Data: <&#184;&#142;&#243;j            > B8 8E F3 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002806AF45130, 16 bytes long.
 Data: < &#142;&#243;j            > 90 8E F3 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002806AF45450, 16 bytes long.
 Data: <h&#142;&#243;j            > 68 8E F3 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002806AF44FF0, 16 bytes long.
 Data: <@&#142;&#243;j            > 40 8E F3 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002806AF45220, 16 bytes long.
 Data: < &#142;&#243;j            > 18 8E F3 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002806AF3F7B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002806AF45400, 16 bytes long.
 Data: <&#240; &#243;j            > F0 8D F3 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002806AF38DF0, 320 bytes long.
 Data: < T&#244;j    &#176;&#247;&#243;j    > 00 54 F4 6A 80 02 00 00 B0 F7 F3 6A 80 02 00 00 
{275} normal block at 0x000002806AF454F0, 16 bytes long.
 Data: <&#192;_&#244;j            > C0 5F F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002806AF44FA0, 16 bytes long.
 Data: < _&#244;j            > 98 5F F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002806AF3F990, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002806AF455E0, 16 bytes long.
 Data: <p_&#244;j            > 70 5F F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002806AF3F1B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002806AF45860, 16 bytes long.
 Data: <&#184;^&#244;j            > B8 5E F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002806AF45C70, 16 bytes long.
 Data: < ^&#244;j            > 90 5E F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002806AF45270, 16 bytes long.
 Data: <h^&#244;j            > 68 5E F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002806AF453B0, 16 bytes long.
 Data: <@^&#244;j            > 40 5E F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002806AF44E60, 16 bytes long.
 Data: < ^&#244;j            > 18 5E F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002806AF45BD0, 16 bytes long.
 Data: <&#240;]&#244;j            > F0 5D F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002806AF450E0, 16 bytes long.
 Data: < &#228;&#242;j            > 90 E4 F2 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002806AF2E490, 40 bytes long.
 Data: <&#224;P&#244;j    p&#165;&#170;l    > E0 50 F4 6A 80 02 00 00 70 A5 AA 6C 80 02 00 00 
{261} normal block at 0x000002806AF452C0, 16 bytes long.
 Data: <&#208;]&#244;j            > D0 5D F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002806AF45540, 16 bytes long.
 Data: <&#168;]&#244;j            > A8 5D F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002806AF3F090, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002806AF45810, 16 bytes long.
 Data: < ]&#244;j            > 80 5D F4 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002806AF45D80, 992 bytes long.
 Data: < X&#244;j     &#240;&#243;j    > 10 58 F4 6A 80 02 00 00 90 F0 F3 6A 80 02 00 00 
{93} normal block at 0x000002806AF3F6F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002806AF3D6A0, 16 bytes long.
 Data: <&#160;&#221;&#242;j            > A0 DD F2 6A 80 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002806AF2DDA0, 40 bytes long.
 Data: <&#160;&#214;&#243;j    &#240;&#246;&#243;j    > A0 D6 F3 6A 80 02 00 00 F0 F6 F3 6A 80 02 00 00 
{70} normal block at 0x000002806AF3DFB0, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002806AF3DF10, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002806AF3DB00, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002806AF3D150, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002806AF3DCE0, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002806AF3D650, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002806AF3D420, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002806AF3D9C0, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002806AF3D470, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002806AF3D970, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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