Task 38678573

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND8511_0
Workunit 31620387
Created 26 Oct 2026, 17:52:13 UTC
Sent 26 Oct 2026, 17:52:19 UTC
Report deadline 31 Oct 2026, 17:52:19 UTC
Received 26 Oct 2026, 18:55:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615292
Run time 30 min 37 sec
CPU time 25 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,314.97 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.59 MB
Peak swap size 6.74 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:24:11 (1620): wrapper (7.9.26016): starting
12:24:11 (1620): 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
12:24:12 (1620): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:24:12 (1620): 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
12:54:02 (1620): C:/Windows/system32/cmd.exe exited; CPU time 1529.671875
12:54:02 (1620): 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: 27491927 bytes.
Dumping objects ->
{3835226} normal block at 0x00000230D8955EC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x00000230D8955E50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x00000230D8955980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x00000230D8955C90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x00000230D8955C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x00000230DA5380E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x00000230DA54FBF0, 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) : {3835137} normal block at 0x00000230D894EED0, 8 bytes long.
 Data: <  &#224;&#216;0   > 00 00 E0 D8 30 02 00 00 
{3834539} normal block at 0x00000230DA54F880, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000230D894EE80, 8 bytes long.
 Data: <`GY&#218;0   > 60 47 59 DA 30 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000230D8951120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000230D8946830, 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 0x00000230D89566E0, 16 bytes long.
 Data: <&#184;u&#149;&#216;0           > B8 75 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000230D8956910, 16 bytes long.
 Data: < u&#149;&#216;0           > 90 75 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000230D89501D0, 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 0x00000230D8956960, 16 bytes long.
 Data: <hu&#149;&#216;0           > 68 75 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000230D8956FF0, 16 bytes long.
 Data: <@u&#149;&#216;0           > 40 75 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000230D8957090, 16 bytes long.
 Data: < u&#149;&#216;0           > 18 75 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000230D8956D70, 16 bytes long.
 Data: <&#240;t&#149;&#216;0           > F0 74 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000230D8955D00, 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 0x00000230D89571D0, 16 bytes long.
 Data: <&#232;&#142;&#148;&#216;0           > E8 8E 94 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000230D894F9F0, 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 0x00000230D89569B0, 16 bytes long.
 Data: <&#192;&#142;&#148;&#216;0           > C0 8E 94 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000230D8956460, 16 bytes long.
 Data: < &#142;&#148;&#216;0           > 98 8E 94 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000230D8956820, 16 bytes long.
 Data: <p&#142;&#148;&#216;0           > 70 8E 94 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000230D8956FA0, 16 bytes long.
 Data: <H&#142;&#148;&#216;0           > 48 8E 94 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000230D8956F00, 16 bytes long.
 Data: < &#142;&#148;&#216;0           > 20 8E 94 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000230D8956410, 16 bytes long.
 Data: <&#248; &#148;&#216;0           > F8 8D 94 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000230D894F690, 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 0x00000230D8956E60, 16 bytes long.
 Data: <&#208; &#148;&#216;0           > D0 8D 94 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000230D8948DD0, 320 bytes long.
 Data: <`n&#149;&#216;0    &#246;&#148;&#216;0   > 60 6E 95 D8 30 02 00 00 90 F6 94 D8 30 02 00 00 
{276} normal block at 0x00000230D8956DC0, 16 bytes long.
 Data: <&#208;t&#149;&#216;0           > D0 74 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000230D89563C0, 16 bytes long.
 Data: <&#168;t&#149;&#216;0           > A8 74 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000230D894F630, 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 0x00000230D8956B40, 16 bytes long.
 Data: < t&#149;&#216;0           > 80 74 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000230D894FFF0, 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 0x00000230D8956E10, 16 bytes long.
 Data: <&#200;s&#149;&#216;0           > C8 73 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000230D89565A0, 16 bytes long.
 Data: <&#160;s&#149;&#216;0           > A0 73 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000230D8957180, 16 bytes long.
 Data: <xs&#149;&#216;0           > 78 73 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000230D8956550, 16 bytes long.
 Data: <Ps&#149;&#216;0           > 50 73 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000230D8956780, 16 bytes long.
 Data: <(s&#149;&#216;0           > 28 73 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000230D8956A50, 16 bytes long.
 Data: < s&#149;&#216;0           > 00 73 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000230D8956EB0, 16 bytes long.
 Data: <0_&#149;&#216;0           > 30 5F 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000230D8955F30, 40 bytes long.
 Data: <&#176;n&#149;&#216;0   &#224; S&#218;0   > B0 6E 95 D8 30 02 00 00 E0 80 53 DA 30 02 00 00 
{262} normal block at 0x00000230D8957130, 16 bytes long.
 Data: <&#224;r&#149;&#216;0           > E0 72 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000230D8956F50, 16 bytes long.
 Data: <&#184;r&#149;&#216;0           > B8 72 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000230D894F6F0, 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 0x00000230D8956370, 16 bytes long.
 Data: < r&#149;&#216;0           > 90 72 95 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000230D8957290, 992 bytes long.
 Data: <pc&#149;&#216;0   &#240;&#246;&#148;&#216;0   > 70 63 95 D8 30 02 00 00 F0 F6 94 D8 30 02 00 00 
{94} normal block at 0x00000230D894F930, 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 0x00000230D894EAC0, 16 bytes long.
 Data: <&#192;&#228;&#148;&#216;0           > C0 E4 94 D8 30 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000230D894E4C0, 40 bytes long.
 Data: <&#192;&#234;&#148;&#216;0   0&#249;&#148;&#216;0   > C0 EA 94 D8 30 02 00 00 30 F9 94 D8 30 02 00 00 
{71} normal block at 0x00000230D894EDE0, 16 bytes long.
 Data: < &#234;&#151; &#246;           > 80 EA 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000230D894F100, 16 bytes long.
 Data: <@&#233;&#151; &#246;           > 40 E9 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000230D894E8E0, 16 bytes long.
 Data: <&#248;W&#148; &#246;           > F8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000230D894EE30, 16 bytes long.
 Data: <&#216;W&#148; &#246;           > D8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000230D894EB10, 16 bytes long.
 Data: <P &#148; &#246;           > 50 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000230D894F0B0, 16 bytes long.
 Data: <0 &#148; &#246;           > 30 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000230D894ED90, 16 bytes long.
 Data: <&#224; &#148; &#246;           > E0 02 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000230D894E5C0, 16 bytes long.
 Data: <  &#148; &#246;           > 10 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000230D894EC50, 16 bytes long.
 Data: <p &#148; &#246;           > 70 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000230D894EF70, 16 bytes long.
 Data: < &#192;&#146; &#246;           > 18 C0 92 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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