Task 38681448

Name test_314-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0723_0
Workunit 31623113
Created 27 Oct 2026, 4:02:00 UTC
Sent 27 Oct 2026, 4:02:02 UTC
Report deadline 1 Nov 2026, 4:02:02 UTC
Received 27 Oct 2026, 5:15:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 17 min 53 sec
CPU time 16 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.33 MB
Peak swap size 10.03 GB
Peak disk usage 3.58 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:57:44 (26588): wrapper (7.9.26016): starting
23:57:44 (26588): 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
23:57:45 (26588): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:57:45 (26588): 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
00:15:15 (26588): C:/Windows/system32/cmd.exe exited; CPU time 1004.609375
00:15:15 (26588): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 22929209 bytes.
Dumping objects ->
{3835289} normal block at 0x00000198B80C6CB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x00000198B80C72D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x00000198B80C6D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x00000198B80C6D20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000198B80C7260, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x00000198B9D09810, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x00000198B811EC00, 135 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) : {3835200} normal block at 0x00000198B80C24F0, 8 bytes long.
 Data: <   &#184;    > 00 00 06 B8 98 01 00 00 
{3834577} normal block at 0x00000198B811F760, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000198B80C1CD0, 8 bytes long.
 Data: <&#224;e &#184;    > E0 65 0C B8 98 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000198B80C37D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000198B80AE8B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000198B80C8700, 16 bytes long.
 Data: <&#184;v &#184;            > B8 76 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000198B80C8340, 16 bytes long.
 Data: < v &#184;            > 90 76 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000198B80C1580, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000198B80C7990, 16 bytes long.
 Data: <hv &#184;            > 68 76 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000198B80C8160, 16 bytes long.
 Data: <@v &#184;            > 40 76 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000198B80C7B20, 16 bytes long.
 Data: < v &#184;            > 18 76 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000198B80C7F80, 16 bytes long.
 Data: <&#240;u &#184;            > F0 75 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000198B80C6E00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000198B80C7D50, 16 bytes long.
 Data: < &#181; &#184;            > 08 B5 0A B8 98 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000198B80C1A60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000198B80C7E90, 16 bytes long.
 Data: <&#224;&#180; &#184;            > E0 B4 0A B8 98 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000198B80C7C60, 16 bytes long.
 Data: <&#184;&#180; &#184;            > B8 B4 0A B8 98 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000198B80C7800, 16 bytes long.
 Data: < &#180; &#184;            > 90 B4 0A B8 98 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000198B80C78F0, 16 bytes long.
 Data: <h&#180; &#184;            > 68 B4 0A B8 98 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000198B80C7C10, 16 bytes long.
 Data: <@&#180; &#184;            > 40 B4 0A B8 98 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000198B80C8520, 16 bytes long.
 Data: < &#180; &#184;            > 18 B4 0A B8 98 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000198B80C1220, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000198B80C8070, 16 bytes long.
 Data: <&#240;&#179; &#184;            > F0 B3 0A B8 98 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000198B80AB3F0, 320 bytes long.
 Data: <p  &#184;       &#184;    > 70 80 0C B8 98 01 00 00 20 12 0C B8 98 01 00 00 
{273} normal block at 0x00000198B80C7D00, 16 bytes long.
 Data: <&#208;u &#184;            > D0 75 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000198B80C86B0, 16 bytes long.
 Data: <&#168;u &#184;            > A8 75 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000198B80C1040, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000198B80C8430, 16 bytes long.
 Data: < u &#184;            > 80 75 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000198B80C0E60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000198B80C82F0, 16 bytes long.
 Data: <&#200;t &#184;            > C8 74 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000198B80C7AD0, 16 bytes long.
 Data: <&#160;t &#184;            > A0 74 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000198B80C82A0, 16 bytes long.
 Data: <xt &#184;            > 78 74 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000198B80C7940, 16 bytes long.
 Data: <Pt &#184;            > 50 74 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000198B80C2400, 16 bytes long.
 Data: <(t &#184;            > 28 74 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000198B80C2630, 16 bytes long.
 Data: < t &#184;            > 00 74 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000198B80C2270, 16 bytes long.
 Data: <&#208;k &#184;            > D0 6B 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000198B80C6BD0, 40 bytes long.
 Data: <p" &#184;      &#208;&#185;    > 70 22 0C B8 98 01 00 00 10 98 D0 B9 98 01 00 00 
{259} normal block at 0x00000198B80C2220, 16 bytes long.
 Data: <&#224;s &#184;            > E0 73 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000198B80C2720, 16 bytes long.
 Data: <&#184;s &#184;            > B8 73 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000198B80C0DA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000198B80C1C30, 16 bytes long.
 Data: < s &#184;            > 90 73 0C B8 98 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000198B80C7390, 992 bytes long.
 Data: <0  &#184;    &#160;  &#184;    > 30 1C 0C B8 98 01 00 00 A0 0D 0C B8 98 01 00 00 
{91} normal block at 0x00000198B80C0CE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000198B80C2090, 16 bytes long.
 Data: <&#208;&#210; &#184;            > D0 D2 0A B8 98 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000198B80AD2D0, 40 bytes long.
 Data: <   &#184;    &#224;  &#184;    > 90 20 0C B8 98 01 00 00 E0 0C 0C B8 98 01 00 00 
{68} normal block at 0x00000198B80C24A0, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000198B80C1EB0, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000198B80C22C0, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000198B80C2040, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000198B80C2450, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000198B80C1DC0, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000198B80C2900, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000198B80C1D70, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000198B80C2A90, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000198B80C1E10, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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