Task 38687357

Name test_406-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8261_0
Workunit 31628749
Created 28 Oct 2026, 7:22:55 UTC
Sent 28 Oct 2026, 7:23:01 UTC
Report deadline 2 Nov 2026, 7:23:01 UTC
Received 28 Oct 2026, 9:49:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623084
Run time 1 hours 8 min 17 sec
CPU time 1 hours 4 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.84 MB
Peak swap size 12.76 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:31:15 (72192): wrapper (7.9.26016): starting
17:31:15 (72192): 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
17:31:16 (72192): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:31:16 (72192): 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\34\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\34\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
18:38:38 (72192): C:/Windows/system32/cmd.exe exited; CPU time 3884.203125
18:38:38 (72192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
464 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: 68451285 bytes.
Dumping objects ->
{3835600} normal block at 0x0000027F1C979CC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x0000027F1C979EF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835578} normal block at 0x0000027F1C9799B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835567} normal block at 0x0000027F1C979E80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x0000027F1C97A120, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835525} normal block at 0x0000027F1EB298B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000027F1EB3EE20, 104 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) : {3835511} normal block at 0x0000027F1C94E600, 8 bytes long.
 Data: <        > 00 00 E3 1C 7F 02 00 00 
{3834797} normal block at 0x0000027F1EB3F9D0, 104 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834105} normal block at 0x0000027F1C94E7E0, 8 bytes long.
 Data: <  &#162;     > 90 E5 A2 1C 7F 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000027F1C952F50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000027F1C947520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x0000027F1C956530, 16 bytes long.
 Data: <xw              > 78 77 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000027F1C956800, 16 bytes long.
 Data: <Pw              > 50 77 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000027F1C950430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000027F1C956670, 16 bytes long.
 Data: <(w              > 28 77 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000027F1C9564E0, 16 bytes long.
 Data: < w              > 00 77 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000027F1C956D00, 16 bytes long.
 Data: <&#216;v              > D8 76 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000027F1C9567B0, 16 bytes long.
 Data: <&#176;v              > B0 76 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000027F1C9514A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x0000027F1C9572F0, 16 bytes long.
 Data: <8               > 38 01 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000027F1C9508B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000027F1C956760, 16 bytes long.
 Data: <                > 10 01 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027F1C956490, 16 bytes long.
 Data: <                > E8 00 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027F1C957200, 16 bytes long.
 Data: <&#192;               > C0 00 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027F1C957020, 16 bytes long.
 Data: <                > 98 00 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027F1C956C60, 16 bytes long.
 Data: <p               > 70 00 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027F1C956E40, 16 bytes long.
 Data: <H               > 48 00 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027F1C950F10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x0000027F1C956CB0, 16 bytes long.
 Data: <                > 20 00 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027F1C950020, 320 bytes long.
 Data: <&#176;l              > B0 6C 95 1C 7F 02 00 00 10 0F 95 1C 7F 02 00 00 
{288} normal block at 0x0000027F1C9565D0, 16 bytes long.
 Data: < v              > 90 76 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027F1C957250, 16 bytes long.
 Data: <hv              > 68 76 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027F1C950850, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000027F1C956BC0, 16 bytes long.
 Data: <@v              > 40 76 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027F1C950550, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000027F1C956710, 16 bytes long.
 Data: < u              > 88 75 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027F1C956580, 16 bytes long.
 Data: <`u              > 60 75 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027F1C956620, 16 bytes long.
 Data: <8u              > 38 75 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027F1C956B70, 16 bytes long.
 Data: < u              > 10 75 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027F1C956B20, 16 bytes long.
 Data: < t              > E8 74 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027F1C956F80, 16 bytes long.
 Data: <&#192;t              > C0 74 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027F1C9566C0, 16 bytes long.
 Data: <&#208;               > D0 16 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027F1C9516D0, 40 bytes long.
 Data: <&#192;f      &#176; &#178;     > C0 66 95 1C 7F 02 00 00 B0 98 B2 1E 7F 02 00 00 
{274} normal block at 0x0000027F1C957390, 16 bytes long.
 Data: < t              > A0 74 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027F1C9573E0, 16 bytes long.
 Data: <xt              > 78 74 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027F1C950490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000027F1C956C10, 16 bytes long.
 Data: <Pt              > 50 74 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027F1C957450, 992 bytes long.
 Data: < l              > 10 6C 95 1C 7F 02 00 00 90 04 95 1C 7F 02 00 00 
{106} normal block at 0x0000027F1C950AF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x0000027F1C94E970, 16 bytes long.
 Data: <&#192;               > C0 13 95 1C 7F 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000027F1C9513C0, 40 bytes long.
 Data: <p               > 70 E9 94 1C 7F 02 00 00 F0 0A 95 1C 7F 02 00 00 
{81} normal block at 0x0000027F1C94EB00, 16 bytes long.
 Data: <  -&#202;            > 80 EA 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000027F1C94EE20, 16 bytes long.
 Data: <@ -&#202;            > 40 E9 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000027F1C94E8D0, 16 bytes long.
 Data: < W*&#202;            > F8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000027F1C94ECE0, 16 bytes long.
 Data: <&#216;W*&#202;            > D8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000027F1C94EBF0, 16 bytes long.
 Data: <P *&#202;            > 50 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000027F1C94EC40, 16 bytes long.
 Data: <0 *&#202;            > 30 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000027F1C94E1F0, 16 bytes long.
 Data: <  *&#202;            > E0 02 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000027F1C94E4C0, 16 bytes long.
 Data: <  *&#202;            > 10 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000027F1C94EBA0, 16 bytes long.
 Data: <p *&#202;            > 70 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027F1C94E010, 16 bytes long.
 Data: < &#192;(&#202;            > 18 C0 28 CA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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