Task 38678738

Name test_334-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7879_1
Workunit 31620491
Created 26 Oct 2026, 18:21:04 UTC
Sent 26 Oct 2026, 18:21:15 UTC
Report deadline 31 Oct 2026, 18:21:15 UTC
Received 26 Oct 2026, 18:48:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640732
Run time 24 min 43 sec
CPU time 22 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.09 MB
Peak swap size 13.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:23:14 (23696): wrapper (7.9.26016): starting
18:23:14 (23696): 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
18:23:15 (23696): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:23:15 (23696): 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\30\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\30\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
18:47:08 (23696): C:/Windows/system32/cmd.exe exited; CPU time 1325.078125
18:47:08 (23696): 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: 25974725 bytes.
Dumping objects ->
{3835192} normal block at 0x0000019E1B86D140, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000019E1B86CB90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x0000019E1B86C880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835159} normal block at 0x0000019E19AC4790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000019E19AC45D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835117} normal block at 0x0000019E1B8BB300, 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) : {3835104} normal block at 0x0000019E19ABFC60, 8 bytes long.
 Data: <    &#158;   > 00 00 12 1A 9E 01 00 00 
{3833961} normal block at 0x0000019E19AC0340, 8 bytes long.
 Data: <0V&#145; &#158;   > 30 56 91 1B 9E 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019E19AB7340, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019E19AAEDC0, 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 0x0000019E19AC5DE0, 16 bytes long.
 Data: < c&#172; &#158;           > 08 63 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019E19AC5A70, 16 bytes long.
 Data: <&#224;b&#172; &#158;           > E0 62 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019E19AC0910, 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 0x0000019E19AC5520, 16 bytes long.
 Data: <&#184;b&#172; &#158;           > B8 62 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019E19AC5D90, 16 bytes long.
 Data: < b&#172; &#158;           > 90 62 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019E19AC5D40, 16 bytes long.
 Data: <hb&#172; &#158;           > 68 62 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019E19AC5110, 16 bytes long.
 Data: <@b&#172; &#158;           > 40 62 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019E19AC4B10, 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 0x0000019E19AC5570, 16 bytes long.
 Data: <h &#171; &#158;           > 68 08 AB 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019E19AC08B0, 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 0x0000019E19AC5020, 16 bytes long.
 Data: <@ &#171; &#158;           > 40 08 AB 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019E19AC54D0, 16 bytes long.
 Data: <  &#171; &#158;           > 18 08 AB 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019E19AC5F20, 16 bytes long.
 Data: <&#240; &#171; &#158;           > F0 07 AB 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019E19AC5430, 16 bytes long.
 Data: <&#200; &#171; &#158;           > C8 07 AB 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019E19AC5200, 16 bytes long.
 Data: <&#160; &#171; &#158;           > A0 07 AB 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019E19AC5930, 16 bytes long.
 Data: <x &#171; &#158;           > 78 07 AB 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019E19AC13F0, 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 0x0000019E19AC51B0, 16 bytes long.
 Data: <P &#171; &#158;           > 50 07 AB 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019E19AB0750, 320 bytes long.
 Data: <&#176;Q&#172; &#158;   &#240; &#172; &#158;   > B0 51 AC 19 9E 01 00 00 F0 13 AC 19 9E 01 00 00 
{276} normal block at 0x0000019E19AC5340, 16 bytes long.
 Data: < b&#172; &#158;           > 20 62 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019E19AC5CA0, 16 bytes long.
 Data: <&#248;a&#172; &#158;           > F8 61 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019E19AC0EB0, 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 0x0000019E19AC53E0, 16 bytes long.
 Data: <&#208;a&#172; &#158;           > D0 61 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019E19AC1270, 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 0x0000019E19AC58E0, 16 bytes long.
 Data: < a&#172; &#158;           > 18 61 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019E19AC56B0, 16 bytes long.
 Data: <&#240;`&#172; &#158;           > F0 60 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019E19AC5890, 16 bytes long.
 Data: <&#200;`&#172; &#158;           > C8 60 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019E19AC57A0, 16 bytes long.
 Data: <&#160;`&#172; &#158;           > A0 60 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019E19AC5C00, 16 bytes long.
 Data: <x`&#172; &#158;           > 78 60 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019E19AC5840, 16 bytes long.
 Data: <P`&#172; &#158;           > 50 60 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019E19AC5750, 16 bytes long.
 Data: <@F&#172; &#158;           > 40 46 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019E19AC4640, 40 bytes long.
 Data: <PW&#172; &#158;    &#179;&#139; &#158;   > 50 57 AC 19 9E 01 00 00 00 B3 8B 1B 9E 01 00 00 
{262} normal block at 0x0000019E19AC5A20, 16 bytes long.
 Data: <0`&#172; &#158;           > 30 60 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019E19AC5C50, 16 bytes long.
 Data: < `&#172; &#158;           > 08 60 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019E19AC0850, 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 0x0000019E19AC57F0, 16 bytes long.
 Data: <&#224;_&#172; &#158;           > E0 5F AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019E19AC5FE0, 992 bytes long.
 Data: <&#240;W&#172; &#158;   P &#172; &#158;   > F0 57 AC 19 9E 01 00 00 50 08 AC 19 9E 01 00 00 
{94} normal block at 0x0000019E19AC0AF0, 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 0x0000019E19ABFDF0, 16 bytes long.
 Data: <PI&#172; &#158;           > 50 49 AC 19 9E 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000019E19AC4950, 40 bytes long.
 Data: <&#240;&#253;&#171; &#158;   &#240; &#172; &#158;   > F0 FD AB 19 9E 01 00 00 F0 0A AC 19 9E 01 00 00 
{71} normal block at 0x0000019E19ABFAD0, 16 bytes long.
 Data: < &#234;&#189;&#146;&#247;           > 80 EA BD 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019E19ABFC10, 16 bytes long.
 Data: <@&#233;&#189;&#146;&#247;           > 40 E9 BD 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019E19ABF990, 16 bytes long.
 Data: <&#248;W&#186;&#146;&#247;           > F8 57 BA 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019E19ABFF80, 16 bytes long.
 Data: <&#216;W&#186;&#146;&#247;           > D8 57 BA 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019E19AC0160, 16 bytes long.
 Data: <P &#186;&#146;&#247;           > 50 04 BA 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019E19ABF710, 16 bytes long.
 Data: <0 &#186;&#146;&#247;           > 30 04 BA 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019E19ABFCB0, 16 bytes long.
 Data: <&#224; &#186;&#146;&#247;           > E0 02 BA 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019E19AC0110, 16 bytes long.
 Data: <  &#186;&#146;&#247;           > 10 04 BA 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019E19ABFF30, 16 bytes long.
 Data: <p &#186;&#146;&#247;           > 70 04 BA 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019E19ABFEE0, 16 bytes long.
 Data: < &#192;&#184;&#146;&#247;           > 18 C0 B8 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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