Task 38694658

Name test_677-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5261_0
Workunit 31635393
Created 31 Oct 2026, 0:48:29 UTC
Sent 31 Oct 2026, 0:48:33 UTC
Report deadline 5 Nov 2026, 0:48:33 UTC
Received 31 Oct 2026, 3:05:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632144
Run time 48 min
CPU time 46 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.72 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:17:26 (32864): wrapper (7.9.26016): starting
19:17:26 (32864): 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
19:17:27 (32864): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:17:27 (32864): 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\2\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\2\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
20:04:42 (32864): C:/Windows/system32/cmd.exe exited; CPU time 2784.218750
20:04:42 (32864): 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: 93167823 bytes.
Dumping objects ->
{3835638} normal block at 0x0000022E578CFA60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x0000022E578CFB40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x0000022E578CF6E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x0000022E578CF1A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x0000022E578CF8A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x0000022E596E65A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x0000022E59671690, 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) : {3835549} normal block at 0x0000022E5789C360, 8 bytes long.
 Data: <  &#216;W.   > 00 00 D8 57 2E 02 00 00 
{3834742} normal block at 0x0000022E59671CC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833987} normal block at 0x0000022E5789C540, 8 bytes long.
 Data: < {nY.   > 00 7B 6E 59 2E 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000022E578A1170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x0000022E57898470, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x0000022E578A7E60, 16 bytes long.
 Data: <&#248;&#139;&#138;W.           > F8 8B 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000022E578A7A00, 16 bytes long.
 Data: <&#208;&#139;&#138;W.           > D0 8B 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000022E578A3540, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x0000022E578A7E10, 16 bytes long.
 Data: <&#168;&#139;&#138;W.           > A8 8B 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000022E578A7C80, 16 bytes long.
 Data: < &#139;&#138;W.           > 80 8B 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000022E578A82C0, 16 bytes long.
 Data: <X&#139;&#138;W.           > 58 8B 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000022E578A79B0, 16 bytes long.
 Data: <0&#139;&#138;W.           > 30 8B 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000022E578A63D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x0000022E578A8360, 16 bytes long.
 Data: < 4&#138;W.           > 18 34 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022E578A3780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x0000022E578A8680, 16 bytes long.
 Data: <&#240;3&#138;W.           > F0 33 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022E578A8270, 16 bytes long.
 Data: <&#200;3&#138;W.           > C8 33 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022E578A8770, 16 bytes long.
 Data: <&#160;3&#138;W.           > A0 33 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022E578A7D20, 16 bytes long.
 Data: <x3&#138;W.           > 78 33 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022E578A8220, 16 bytes long.
 Data: <P3&#138;W.           > 50 33 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022E578A81D0, 16 bytes long.
 Data: <(3&#138;W.           > 28 33 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022E578A43E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x0000022E578A8630, 16 bytes long.
 Data: < 3&#138;W.           > 00 33 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022E578A3300, 320 bytes long.
 Data: <0&#134;&#138;W.   &#224;C&#138;W.   > 30 86 8A 57 2E 02 00 00 E0 43 8A 57 2E 02 00 00 
{289} normal block at 0x0000022E578A7960, 16 bytes long.
 Data: < &#139;&#138;W.           > 10 8B 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022E578A7910, 16 bytes long.
 Data: <&#232;&#138;&#138;W.           > E8 8A 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022E578A40E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x0000022E578A7D70, 16 bytes long.
 Data: <&#192;&#138;&#138;W.           > C0 8A 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022E578A3C00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x0000022E578A8860, 16 bytes long.
 Data: < &#138;&#138;W.           > 08 8A 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022E578A7AF0, 16 bytes long.
 Data: <&#224;&#137;&#138;W.           > E0 89 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022E578A8720, 16 bytes long.
 Data: <&#184;&#137;&#138;W.           > B8 89 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022E578A7DC0, 16 bytes long.
 Data: < &#137;&#138;W.           > 90 89 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022E578A8810, 16 bytes long.
 Data: <h&#137;&#138;W.           > 68 89 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022E578A8450, 16 bytes long.
 Data: <@&#137;&#138;W.           > 40 89 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022E578A7B90, 16 bytes long.
 Data: < e&#138;W.           > 20 65 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022E578A6520, 40 bytes long.
 Data: < {&#138;W.   &#160;enY.   > 90 7B 8A 57 2E 02 00 00 A0 65 6E 59 2E 02 00 00 
{275} normal block at 0x0000022E578A7AA0, 16 bytes long.
 Data: < &#137;&#138;W.           > 20 89 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022E578A87C0, 16 bytes long.
 Data: <&#248; &#138;W.           > F8 88 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022E578A37E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x0000022E578A7BE0, 16 bytes long.
 Data: <&#208; &#138;W.           > D0 88 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022E578A88D0, 992 bytes long.
 Data: <&#224;{&#138;W.   &#224;7&#138;W.   > E0 7B 8A 57 2E 02 00 00 E0 37 8A 57 2E 02 00 00 
{107} normal block at 0x0000022E578A3F00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x0000022E5789C1D0, 16 bytes long.
 Data: <&#240;b&#138;W.           > F0 62 8A 57 2E 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x0000022E578A62F0, 40 bytes long.
 Data: <&#208;&#193;&#137;W.    ?&#138;W.   > D0 C1 89 57 2E 02 00 00 00 3F 8A 57 2E 02 00 00 
{84} normal block at 0x0000022E5789CB30, 16 bytes long.
 Data: < &#234;.&#245;&#246;           > 80 EA 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000022E5789C9F0, 16 bytes long.
 Data: <@&#233;.&#245;&#246;           > 40 E9 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000022E5789C180, 16 bytes long.
 Data: <&#248;W+&#245;&#246;           > F8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000022E5789C630, 16 bytes long.
 Data: <&#216;W+&#245;&#246;           > D8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000022E5789CAE0, 16 bytes long.
 Data: <P +&#245;&#246;           > 50 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000022E5789C9A0, 16 bytes long.
 Data: <0 +&#245;&#246;           > 30 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000022E5789C040, 16 bytes long.
 Data: <&#224; +&#245;&#246;           > E0 02 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000022E5789C130, 16 bytes long.
 Data: <  +&#245;&#246;           > 10 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000022E5789CA40, 16 bytes long.
 Data: <p +&#245;&#246;           > 70 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000022E5789CC70, 16 bytes long.
 Data: < &#192;)&#245;&#246;           > 18 C0 29 F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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