Task 38688731

Name test_675-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6472_0
Workunit 31630055
Created 28 Oct 2026, 15:49:31 UTC
Sent 28 Oct 2026, 15:49:36 UTC
Report deadline 2 Nov 2026, 15:49:36 UTC
Received 28 Oct 2026, 16:08:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 17 min 23 sec
CPU time 15 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.67 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:50:27 (3920): wrapper (7.9.26016): starting
16:50:27 (3920): 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
16:50:28 (3920): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:50:28 (3920): 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\10\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\10\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
17:07:09 (3920): C:/Windows/system32/cmd.exe exited; CPU time 929.359375
17:07:09 (3920): 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: 17952191 bytes.
Dumping objects ->
{3835223} normal block at 0x0000018B3A9562E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000018B3A9564A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000018B3A956040, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x0000018B3A956430, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000018B3A9560B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x0000018B3C768BE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x0000018B3C77EE10, 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) : {3835134} normal block at 0x0000018B3A94D0B0, 8 bytes long.
 Data: <  &#145;:&#139;   > 00 00 91 3A 8B 01 00 00 
{3834541} normal block at 0x0000018B3C77F0D0, 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 0x0000018B3A94D470, 8 bytes long.
 Data: < [ <&#139;   > 20 5B 7F 3C 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000018B3A94F670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018B3A946490, 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 0x0000018B3A9550E0, 16 bytes long.
 Data: < ^&#149;:&#139;           > 18 5E 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018B3A955450, 16 bytes long.
 Data: <&#240;]&#149;:&#139;           > F0 5D 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018B3A94E760, 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 0x0000018B3A954F00, 16 bytes long.
 Data: <&#200;]&#149;:&#139;           > C8 5D 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018B3A954B40, 16 bytes long.
 Data: <&#160;]&#149;:&#139;           > A0 5D 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018B3A955310, 16 bytes long.
 Data: <x]&#149;:&#139;           > 78 5D 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018B3A954870, 16 bytes long.
 Data: <P]&#149;:&#139;           > 50 5D 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018B3A955F60, 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 0x0000018B3A955090, 16 bytes long.
 Data: <&#248;&#199;&#148;:&#139;           > F8 C7 94 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018B3A94DBC0, 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 0x0000018B3A954910, 16 bytes long.
 Data: <&#208;&#199;&#148;:&#139;           > D0 C7 94 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018B3A954A00, 16 bytes long.
 Data: <&#168;&#199;&#148;:&#139;           > A8 C7 94 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018B3A9548C0, 16 bytes long.
 Data: < &#199;&#148;:&#139;           > 80 C7 94 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018B3A954780, 16 bytes long.
 Data: <X&#199;&#148;:&#139;           > 58 C7 94 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018B3A955270, 16 bytes long.
 Data: <0&#199;&#148;:&#139;           > 30 C7 94 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018B3A955540, 16 bytes long.
 Data: < &#199;&#148;:&#139;           > 08 C7 94 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018B3A94DA40, 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 0x0000018B3A955040, 16 bytes long.
 Data: <&#224;&#198;&#148;:&#139;           > E0 C6 94 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018B3A94C6E0, 320 bytes long.
 Data: <@P&#149;:&#139;   @&#218;&#148;:&#139;   > 40 50 95 3A 8B 01 00 00 40 DA 94 3A 8B 01 00 00 
{275} normal block at 0x0000018B3A954730, 16 bytes long.
 Data: <0]&#149;:&#139;           > 30 5D 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018B3A9547D0, 16 bytes long.
 Data: < ]&#149;:&#139;           > 08 5D 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018B3A94DEC0, 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 0x0000018B3A954EB0, 16 bytes long.
 Data: <&#224;\&#149;:&#139;           > E0 5C 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018B3A94E0A0, 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 0x0000018B3A954AF0, 16 bytes long.
 Data: <(\&#149;:&#139;           > 28 5C 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018B3A9554A0, 16 bytes long.
 Data: < \&#149;:&#139;           > 00 5C 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018B3A955400, 16 bytes long.
 Data: <&#216;[&#149;:&#139;           > D8 5B 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018B3A955220, 16 bytes long.
 Data: <&#176;[&#149;:&#139;           > B0 5B 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018B3A955680, 16 bytes long.
 Data: < [&#149;:&#139;           > 88 5B 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018B3A954E60, 16 bytes long.
 Data: <`[&#149;:&#139;           > 60 5B 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018B3A9549B0, 16 bytes long.
 Data: <`&#228;&#147;:&#139;           > 60 E4 93 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018B3A93E460, 40 bytes long.
 Data: <&#176;I&#149;:&#139;   &#224;&#139;v<&#139;   > B0 49 95 3A 8B 01 00 00 E0 8B 76 3C 8B 01 00 00 
{261} normal block at 0x0000018B3A954FA0, 16 bytes long.
 Data: <@[&#149;:&#139;           > 40 5B 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018B3A955630, 16 bytes long.
 Data: < [&#149;:&#139;           > 18 5B 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018B3A94E460, 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 0x0000018B3A954FF0, 16 bytes long.
 Data: <&#240;Z&#149;:&#139;           > F0 5A 95 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018B3A955AF0, 992 bytes long.
 Data: <&#240;O&#149;:&#139;   `&#228;&#148;:&#139;   > F0 4F 95 3A 8B 01 00 00 60 E4 94 3A 8B 01 00 00 
{93} normal block at 0x0000018B3A94DAA0, 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 0x0000018B3A94CB10, 16 bytes long.
 Data: <&#192; &#147;:&#139;           > C0 8D 93 3A 8B 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000018B3A938DC0, 40 bytes long.
 Data: < &#203;&#148;:&#139;   &#160;&#218;&#148;:&#139;   > 10 CB 94 3A 8B 01 00 00 A0 DA 94 3A 8B 01 00 00 
{70} normal block at 0x0000018B3A94CBB0, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018B3A94C9D0, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018B3A94CFC0, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018B3A94D330, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018B3A94CC50, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018B3A94CD90, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018B3A94D3D0, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018B3A94CF20, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018B3A94D380, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018B3A94CE80, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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