Task 38682442

Name test_426-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND5205_0
Workunit 31624056
Created 27 Oct 2026, 7:48:07 UTC
Sent 27 Oct 2026, 7:48:11 UTC
Report deadline 1 Nov 2026, 7:48:11 UTC
Received 27 Oct 2026, 11:13:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652180
Run time 52 min 25 sec
CPU time 50 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,742.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.08 MB
Peak swap size 14.27 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
11:22:26 (16516): wrapper (7.9.26016): starting
11:22:26 (16516): 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
11:22:28 (16516): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:22:28 (16516): 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\72\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\72\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
12:12:47 (16516): C:/Windows/system32/cmd.exe exited; CPU time 3051.015625
12:12:47 (16516): 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: 54120939 bytes.
Dumping objects ->
{3835218} normal block at 0x00000278FC1C6C50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000278FC1C6FD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000278FC1C7510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835185} normal block at 0x00000278FC1C6DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x00000278FC1C69B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835143} normal block at 0x00000278FC16BA90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x00000278FC1CD390, 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) : {3835129} normal block at 0x00000278FA356A90, 8 bytes long.
 Data: <  &#215;&#251;x   > 00 00 D7 FB 78 02 00 00 
{3834528} normal block at 0x00000278FC1CD2E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000278FA3570D0, 8 bytes long.
 Data: < x &#252;x   > 20 78 1C FC 78 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000278FA3614C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000278FA345C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000278FA362370, 16 bytes long.
 Data: <&#184;56&#250;x           > B8 35 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000278FA362960, 16 bytes long.
 Data: < 56&#250;x           > 90 35 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000278FA35CE30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000278FA362BE0, 16 bytes long.
 Data: <h56&#250;x           > 68 35 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000278FA3631D0, 16 bytes long.
 Data: <@56&#250;x           > 40 35 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000278FA362500, 16 bytes long.
 Data: < 56&#250;x           > 18 35 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000278FA362320, 16 bytes long.
 Data: <&#240;46&#250;x           > F0 34 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000278FA35B0A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000278FA362B90, 16 bytes long.
 Data: <&#232;[4&#250;x           > E8 5B 34 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000278FA35D310, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000278FA3630E0, 16 bytes long.
 Data: <&#192;[4&#250;x           > C0 5B 34 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000278FA362820, 16 bytes long.
 Data: < [4&#250;x           > 98 5B 34 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000278FA3622D0, 16 bytes long.
 Data: <p[4&#250;x           > 70 5B 34 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000278FA3624B0, 16 bytes long.
 Data: <H[4&#250;x           > 48 5B 34 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000278FA362B40, 16 bytes long.
 Data: < [4&#250;x           > 20 5B 34 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000278FA363090, 16 bytes long.
 Data: <&#248;Z4&#250;x           > F8 5A 34 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000278FA35CD10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000278FA363180, 16 bytes long.
 Data: <&#208;Z4&#250;x           > D0 5A 34 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000278FA345AD0, 320 bytes long.
 Data: < 16&#250;x    &#205;5&#250;x   > 80 31 36 FA 78 02 00 00 10 CD 35 FA 78 02 00 00 
{269} normal block at 0x00000278FA362460, 16 bytes long.
 Data: <&#208;46&#250;x           > D0 34 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000278FA362910, 16 bytes long.
 Data: <&#168;46&#250;x           > A8 34 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000278FA35C8F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000278FA362F50, 16 bytes long.
 Data: < 46&#250;x           > 80 34 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000278FA35CCB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000278FA362CD0, 16 bytes long.
 Data: <&#200;36&#250;x           > C8 33 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000278FA3625F0, 16 bytes long.
 Data: <&#160;36&#250;x           > A0 33 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000278FA363130, 16 bytes long.
 Data: <x36&#250;x           > 78 33 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000278FA3628C0, 16 bytes long.
 Data: <P36&#250;x           > 50 33 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000278FA363220, 16 bytes long.
 Data: <(36&#250;x           > 28 33 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000278FA362EB0, 16 bytes long.
 Data: < 36&#250;x           > 00 33 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000278FA362A50, 16 bytes long.
 Data: < &#177;5&#250;x           > 80 B1 35 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000278FA35B180, 40 bytes long.
 Data: <P*6&#250;x    &#186; &#252;x   > 50 2A 36 FA 78 02 00 00 90 BA 16 FC 78 02 00 00 
{255} normal block at 0x00000278FA3627D0, 16 bytes long.
 Data: <&#224;26&#250;x           > E0 32 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000278FA362D70, 16 bytes long.
 Data: <&#184;26&#250;x           > B8 32 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000278FA35CDD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000278FA3629B0, 16 bytes long.
 Data: < 26&#250;x           > 90 32 36 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000278FA363290, 992 bytes long.
 Data: <&#176;)6&#250;x   &#208;&#205;5&#250;x   > B0 29 36 FA 78 02 00 00 D0 CD 35 FA 78 02 00 00 
{87} normal block at 0x00000278FA35D070, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000278FA356B80, 16 bytes long.
 Data: <@&#179;5&#250;x           > 40 B3 35 FA 78 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000278FA35B340, 40 bytes long.
 Data: < k5&#250;x   p&#208;5&#250;x   > 80 6B 35 FA 78 02 00 00 70 D0 35 FA 78 02 00 00 
{64} normal block at 0x00000278FA356680, 16 bytes long.
 Data: < &#234;&#224;&#209;&#247;           > 80 EA E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000278FA356F90, 16 bytes long.
 Data: <@&#233;&#224;&#209;&#247;           > 40 E9 E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000278FA3564F0, 16 bytes long.
 Data: <&#248;W&#221;&#209;&#247;           > F8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000278FA356EA0, 16 bytes long.
 Data: <&#216;W&#221;&#209;&#247;           > D8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000278FA356E50, 16 bytes long.
 Data: <P &#221;&#209;&#247;           > 50 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000278FA3565E0, 16 bytes long.
 Data: <0 &#221;&#209;&#247;           > 30 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000278FA356A40, 16 bytes long.
 Data: <&#224; &#221;&#209;&#247;           > E0 02 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000278FA356590, 16 bytes long.
 Data: <  &#221;&#209;&#247;           > 10 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000278FA356810, 16 bytes long.
 Data: <p &#221;&#209;&#247;           > 70 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000278FA356E00, 16 bytes long.
 Data: < &#192;&#219;&#209;&#247;           > 18 C0 DB D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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