Task 38677492

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8511_0
Workunit 31619362
Created 26 Oct 2026, 14:31:30 UTC
Sent 26 Oct 2026, 14:31:35 UTC
Report deadline 31 Oct 2026, 14:31:35 UTC
Received 26 Oct 2026, 16:20:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654846
Run time 49 min 13 sec
CPU time 42 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.63 MB
Peak swap size 3.08 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:30:55 (9668): wrapper (7.9.26016): starting
17:30:55 (9668): 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
17:30:57 (9668): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:30:57 (9668): 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 'D:\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 'D:\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
18:18:43 (9668): C:/Windows/system32/cmd.exe exited; CPU time 2537.843750
18:18:43 (9668): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32658665 bytes.
Dumping objects ->
{3835253} normal block at 0x000001BBC616BEC0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000001BBC616B8A0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001BBC616BA60, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000001BBC462C350, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001BBC462C740, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000001BBC61B24A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x000001BBC60E09D0, 160 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) : {3835164} normal block at 0x000001BBC46274A0, 8 bytes long.
 Data: <  &#243;&#197;&#187;   > 00 00 F3 C5 BB 01 00 00 
{3834552} normal block at 0x000001BBC60E0570, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001BBC4627400, 8 bytes long.
 Data: < %$&#198;&#187;   > 10 25 24 C6 BB 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001BBC4631200, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BBC461D5F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001BBC4632E20, 16 bytes long.
 Data: <HHc&#196;&#187;           > 48 48 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BBC4632CE0, 16 bytes long.
 Data: < Hc&#196;&#187;           > 20 48 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BBC462E040, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001BBC4632DD0, 16 bytes long.
 Data: <&#248;Gc&#196;&#187;           > F8 47 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BBC4632240, 16 bytes long.
 Data: <&#208;Gc&#196;&#187;           > D0 47 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BBC4632B50, 16 bytes long.
 Data: <&#168;Gc&#196;&#187;           > A8 47 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BBC4632A10, 16 bytes long.
 Data: < Gc&#196;&#187;           > 80 47 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BBC462C3C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001BBC4632920, 16 bytes long.
 Data: <&#184;\a&#196;&#187;           > B8 5C 61 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BBC462E760, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001BBC4632650, 16 bytes long.
 Data: < \a&#196;&#187;           > 90 5C 61 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BBC4632880, 16 bytes long.
 Data: <h\a&#196;&#187;           > 68 5C 61 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BBC4632BF0, 16 bytes long.
 Data: <@\a&#196;&#187;           > 40 5C 61 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BBC4632C40, 16 bytes long.
 Data: < \a&#196;&#187;           > 18 5C 61 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BBC46330A0, 16 bytes long.
 Data: <&#240;[a&#196;&#187;           > F0 5B 61 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BBC46323D0, 16 bytes long.
 Data: <&#200;[a&#196;&#187;           > C8 5B 61 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BBC462DBC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000001BBC4632C90, 16 bytes long.
 Data: <&#160;[a&#196;&#187;           > A0 5B 61 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BBC4615BA0, 320 bytes long.
 Data: < ,c&#196;&#187;   &#192;&#219;b&#196;&#187;   > 90 2C 63 C4 BB 01 00 00 C0 DB 62 C4 BB 01 00 00 
{267} normal block at 0x000001BBC4632830, 16 bytes long.
 Data: <`Gc&#196;&#187;           > 60 47 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BBC4632E70, 16 bytes long.
 Data: <8Gc&#196;&#187;           > 38 47 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BBC462DE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001BBC4632790, 16 bytes long.
 Data: < Gc&#196;&#187;           > 10 47 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BBC462E3A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001BBC46322E0, 16 bytes long.
 Data: <XFc&#196;&#187;           > 58 46 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BBC46329C0, 16 bytes long.
 Data: <0Fc&#196;&#187;           > 30 46 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BBC4632600, 16 bytes long.
 Data: < Fc&#196;&#187;           > 08 46 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BBC4632B00, 16 bytes long.
 Data: <&#224;Ec&#196;&#187;           > E0 45 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BBC46325B0, 16 bytes long.
 Data: <&#184;Ec&#196;&#187;           > B8 45 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001BBC4632510, 16 bytes long.
 Data: < Ec&#196;&#187;           > 90 45 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001BBC4632D30, 16 bytes long.
 Data: <&#176;&#192;b&#196;&#187;           > B0 C0 62 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001BBC462C0B0, 40 bytes long.
 Data: <0-c&#196;&#187;   &#160;$ &#198;&#187;   > 30 2D 63 C4 BB 01 00 00 A0 24 1B C6 BB 01 00 00 
{253} normal block at 0x000001BBC46321F0, 16 bytes long.
 Data: <pEc&#196;&#187;           > 70 45 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001BBC46324C0, 16 bytes long.
 Data: <HEc&#196;&#187;           > 48 45 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001BBC462DC80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001BBC4632290, 16 bytes long.
 Data: < Ec&#196;&#187;           > 20 45 63 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001BBC4634520, 992 bytes long.
 Data: < "c&#196;&#187;    &#220;b&#196;&#187;   > 90 22 63 C4 BB 01 00 00 80 DC 62 C4 BB 01 00 00 
{85} normal block at 0x000001BBC462E700, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001BBC4627AE0, 16 bytes long.
 Data: < &#197;b&#196;&#187;           > 80 C5 62 C4 BB 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001BBC462C580, 40 bytes long.
 Data: <&#224;zb&#196;&#187;    &#231;b&#196;&#187;   > E0 7A 62 C4 BB 01 00 00 00 E7 62 C4 BB 01 00 00 
{62} normal block at 0x000001BBC4627C20, 16 bytes long.
 Data: < &#234; &#237;&#247;           > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BBC4627FE0, 16 bytes long.
 Data: <@&#233; &#237;&#247;           > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BBC4627860, 16 bytes long.
 Data: <&#248;W&#254;&#236;&#247;           > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001BBC4627A90, 16 bytes long.
 Data: <&#216;W&#254;&#236;&#247;           > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001BBC4628260, 16 bytes long.
 Data: <P &#254;&#236;&#247;           > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001BBC4627F90, 16 bytes long.
 Data: <0 &#254;&#236;&#247;           > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001BBC4627450, 16 bytes long.
 Data: <&#224; &#254;&#236;&#247;           > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001BBC4627770, 16 bytes long.
 Data: <  &#254;&#236;&#247;           > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001BBC4628300, 16 bytes long.
 Data: <p &#254;&#236;&#247;           > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001BBC4628120, 16 bytes long.
 Data: < &#192;&#252;&#236;&#247;           > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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