Task 38686787

Name test_5-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9486_0
Workunit 31628200
Created 28 Oct 2026, 4:22:14 UTC
Sent 28 Oct 2026, 4:22:23 UTC
Report deadline 2 Nov 2026, 4:22:23 UTC
Received 28 Oct 2026, 5:10:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652183
Run time 23 min 50 sec
CPU time 20 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.58 MB
Peak swap size 11.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:47:12 (9376): wrapper (7.9.26016): starting
22:47:12 (9376): 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
22:47:13 (9376): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:47:13 (9376): 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\14\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\14\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: Exiting with failure status due to previous errors
23:10:13 (9376): C:/Windows/system32/cmd.exe exited; CPU time 1215.328125
23:10:13 (9376): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 28628079 bytes.
Dumping objects ->
{3835259} normal block at 0x000002604277CE10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000026040B54C20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000026040B54D00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835226} normal block at 0x0000026040B54BB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000026040B54B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835184} normal block at 0x00000260427C7C90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835171} normal block at 0x0000026040B4F1B0, 8 bytes long.
 Data: <  &#175;@`   > 00 00 AF 40 60 02 00 00 
{3833961} normal block at 0x0000026040B4E6C0, 8 bytes long.
 Data: < &#235;&#194;@`   > 80 EB C2 40 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000026040B50FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026040B45E10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000026040B56280, 16 bytes long.
 Data: < V&#181;@`           > 98 56 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026040B55E70, 16 bytes long.
 Data: <pV&#181;@`           > 70 56 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026040B4FA90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000026040B56050, 16 bytes long.
 Data: <HV&#181;@`           > 48 56 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026040B55F60, 16 bytes long.
 Data: < V&#181;@`           > 20 56 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026040B56640, 16 bytes long.
 Data: <&#248;U&#181;@`           > F8 55 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026040B56190, 16 bytes long.
 Data: <&#208;U&#181;@`           > D0 55 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026040B547C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000026040B560F0, 16 bytes long.
 Data: <&#248; &#180;@`           > F8 8F B4 40 60 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026040B500F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000026040B55880, 16 bytes long.
 Data: <&#208; &#180;@`           > D0 8F B4 40 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026040B55C90, 16 bytes long.
 Data: <&#168; &#180;@`           > A8 8F B4 40 60 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026040B565F0, 16 bytes long.
 Data: <  &#180;@`           > 80 8F B4 40 60 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026040B56690, 16 bytes long.
 Data: <X &#180;@`           > 58 8F B4 40 60 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026040B55830, 16 bytes long.
 Data: <0 &#180;@`           > 30 8F B4 40 60 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026040B560A0, 16 bytes long.
 Data: <  &#180;@`           > 08 8F B4 40 60 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026040B505D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000026040B55A10, 16 bytes long.
 Data: <&#224;&#142;&#180;@`           > E0 8E B4 40 60 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026040B48EE0, 320 bytes long.
 Data: < Z&#181;@`   &#208; &#181;@`   > 10 5A B5 40 60 02 00 00 D0 05 B5 40 60 02 00 00 
{276} normal block at 0x0000026040B55970, 16 bytes long.
 Data: <&#176;U&#181;@`           > B0 55 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026040B55920, 16 bytes long.
 Data: < U&#181;@`           > 88 55 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026040B50270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000026040B55E20, 16 bytes long.
 Data: <`U&#181;@`           > 60 55 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026040B4FFD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000026040B56460, 16 bytes long.
 Data: <&#168;T&#181;@`           > A8 54 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026040B55FB0, 16 bytes long.
 Data: < T&#181;@`           > 80 54 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026040B561E0, 16 bytes long.
 Data: <XT&#181;@`           > 58 54 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026040B55AB0, 16 bytes long.
 Data: <0T&#181;@`           > 30 54 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026040B557E0, 16 bytes long.
 Data: < T&#181;@`           > 08 54 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026040B4EB20, 16 bytes long.
 Data: <&#224;S&#181;@`           > E0 53 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026040B4EFD0, 16 bytes long.
 Data: <pF&#181;@`           > 70 46 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026040B54670, 40 bytes long.
 Data: <&#208;&#239;&#180;@`    ||B`   > D0 EF B4 40 60 02 00 00 90 7C 7C 42 60 02 00 00 
{262} normal block at 0x0000026040B4EEE0, 16 bytes long.
 Data: <&#192;S&#181;@`           > C0 53 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026040B4EB70, 16 bytes long.
 Data: < S&#181;@`           > 98 53 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026040B4FD90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000026040B4F200, 16 bytes long.
 Data: <pS&#181;@`           > 70 53 B5 40 60 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026040B55370, 992 bytes long.
 Data: < &#242;&#180;@`    &#253;&#180;@`   > 00 F2 B4 40 60 02 00 00 90 FD B4 40 60 02 00 00 
{94} normal block at 0x0000026040B4FF70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000026040B4E8A0, 16 bytes long.
 Data: <&#224;&#238;&#179;@`           > E0 EE B3 40 60 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000026040B3EEE0, 40 bytes long.
 Data: <&#160;&#232;&#180;@`   p&#255;&#180;@`   > A0 E8 B4 40 60 02 00 00 70 FF B4 40 60 02 00 00 
{71} normal block at 0x0000026040B4F020, 16 bytes long.
 Data: < &#234;'s&#247;           > 80 EA 27 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026040B4F070, 16 bytes long.
 Data: <@&#233;'s&#247;           > 40 E9 27 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026040B4F160, 16 bytes long.
 Data: <&#248;W$s&#247;           > F8 57 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026040B4E710, 16 bytes long.
 Data: <&#216;W$s&#247;           > D8 57 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026040B4ED00, 16 bytes long.
 Data: <P $s&#247;           > 50 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026040B4F610, 16 bytes long.
 Data: <0 $s&#247;           > 30 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026040B4F5C0, 16 bytes long.
 Data: <&#224; $s&#247;           > E0 02 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026040B4EF30, 16 bytes long.
 Data: <  $s&#247;           > 10 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026040B4F570, 16 bytes long.
 Data: <p $s&#247;           > 70 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026040B4F520, 16 bytes long.
 Data: < &#192;"s&#247;           > 18 C0 22 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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