Task 38685608

Name test_848-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2410_0
Workunit 31627070
Created 27 Oct 2026, 22:02:06 UTC
Sent 27 Oct 2026, 22:02:08 UTC
Report deadline 1 Nov 2026, 22:02:08 UTC
Received 28 Oct 2026, 7:02:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593978
Run time 45 min 48 sec
CPU time 43 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.22 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:18:12 (27576): wrapper (7.9.26016): starting
02:18:12 (27576): 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
02:18:14 (27576): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:18:14 (27576): 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\36\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\36\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
03:02:01 (27576): C:/Windows/system32/cmd.exe exited; CPU time 2621.843750
03:02:01 (27576): 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: 43728006 bytes.
Dumping objects ->
{3835225} normal block at 0x00000208345815D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000020834580A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000020834581020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835192} normal block at 0x0000020834580FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000020834581090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835150} normal block at 0x000002083462B420, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x00000208345F86B0, 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) : {3835136} normal block at 0x00000208328C69D0, 8 bytes long.
 Data: <   2    > 00 00 88 32 08 02 00 00 
{3834533} normal block at 0x00000208345F7FD0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x00000208328C6840, 8 bytes long.
 Data: < Wt4    > 00 57 74 34 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000208328D1110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000208328BBA30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000208328D2330, 16 bytes long.
 Data: <H7 2            > 48 37 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000208328D2D30, 16 bytes long.
 Data: < 7 2            > 20 37 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000208328CD380, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000208328D2CE0, 16 bytes long.
 Data: <&#248;6 2            > F8 36 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000208328D2BF0, 16 bytes long.
 Data: <&#208;6 2            > D0 36 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000208328D22E0, 16 bytes long.
 Data: <&#168;6 2            > A8 36 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000208328D2C40, 16 bytes long.
 Data: < 6 2            > 80 36 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000208328CCA90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000208328D2F60, 16 bytes long.
 Data: <&#168;&#179;&#139;2            > A8 B3 8B 32 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000208328CD0E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000208328D2BA0, 16 bytes long.
 Data: < &#179;&#139;2            > 80 B3 8B 32 08 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000208328D2B50, 16 bytes long.
 Data: <X&#179;&#139;2            > 58 B3 8B 32 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000208328D2F10, 16 bytes long.
 Data: <0&#179;&#139;2            > 30 B3 8B 32 08 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000208328D2EC0, 16 bytes long.
 Data: < &#179;&#139;2            > 08 B3 8B 32 08 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000208328D2600, 16 bytes long.
 Data: <&#224;&#178;&#139;2            > E0 B2 8B 32 08 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000208328D25B0, 16 bytes long.
 Data: <&#184;&#178;&#139;2            > B8 B2 8B 32 08 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000208328CD4A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000208328D2AB0, 16 bytes long.
 Data: < &#178;&#139;2            > 90 B2 8B 32 08 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000208328BB290, 320 bytes long.
 Data: <&#176;* 2    &#160;&#212;&#140;2    > B0 2A 8D 32 08 02 00 00 A0 D4 8C 32 08 02 00 00 
{272} normal block at 0x00000208328D2290, 16 bytes long.
 Data: <`6 2            > 60 36 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000208328D27E0, 16 bytes long.
 Data: <86 2            > 38 36 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000208328CD440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000208328D2240, 16 bytes long.
 Data: < 6 2            > 10 36 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000208328CD860, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000208328D2E70, 16 bytes long.
 Data: <X5 2            > 58 35 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000208328D21F0, 16 bytes long.
 Data: <05 2            > 30 35 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000208328D21A0, 16 bytes long.
 Data: < 5 2            > 08 35 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000208328D2E20, 16 bytes long.
 Data: <&#224;4 2            > E0 34 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000208328D2510, 16 bytes long.
 Data: <&#184;4 2            > B8 34 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000208328D2A60, 16 bytes long.
 Data: < 4 2            > 90 34 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000208328D2A10, 16 bytes long.
 Data: <&#240;&#199;&#140;2            > F0 C7 8C 32 08 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000208328CC7F0, 40 bytes long.
 Data: < * 2     &#180;b4    > 10 2A 8D 32 08 02 00 00 20 B4 62 34 08 02 00 00 
{258} normal block at 0x00000208328D2100, 16 bytes long.
 Data: <p4 2            > 70 34 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000208328D2B00, 16 bytes long.
 Data: <H4 2            > 48 34 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000208328CD980, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000208328D2880, 16 bytes long.
 Data: < 4 2            > 20 34 8D 32 08 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000208328D3420, 992 bytes long.
 Data: < ( 2     &#217;&#140;2    > 80 28 8D 32 08 02 00 00 80 D9 8C 32 08 02 00 00 
{90} normal block at 0x00000208328CD200, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000208328C68E0, 16 bytes long.
 Data: <&#208;&#200;&#140;2            > D0 C8 8C 32 08 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000208328CC8D0, 40 bytes long.
 Data: <&#224;h&#140;2     &#210;&#140;2    > E0 68 8C 32 08 02 00 00 00 D2 8C 32 08 02 00 00 
{67} normal block at 0x00000208328C67A0, 16 bytes long.
 Data: < &#234; &#185;&#247;           > 80 EA 1A B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000208328C6FC0, 16 bytes long.
 Data: <@&#233; &#185;&#247;           > 40 E9 1A B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000208328C6F70, 16 bytes long.
 Data: <&#248;W &#185;&#247;           > F8 57 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000208328C6700, 16 bytes long.
 Data: <&#216;W &#185;&#247;           > D8 57 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000208328C7290, 16 bytes long.
 Data: <P  &#185;&#247;           > 50 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000208328C66B0, 16 bytes long.
 Data: <0  &#185;&#247;           > 30 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000208328C6430, 16 bytes long.
 Data: <&#224;  &#185;&#247;           > E0 02 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000208328C6570, 16 bytes long.
 Data: <   &#185;&#247;           > 10 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000208328C6A70, 16 bytes long.
 Data: <p  &#185;&#247;           > 70 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000208328C6890, 16 bytes long.
 Data: < &#192; &#185;&#247;           > 18 C0 15 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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