Task 38686902

Name test_861-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND0987_0
Workunit 31628311
Created 28 Oct 2026, 4:57:28 UTC
Sent 28 Oct 2026, 4:57:31 UTC
Report deadline 2 Nov 2026, 4:57:31 UTC
Received 28 Oct 2026, 5:49:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 46 min
CPU time 42 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.17 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:03:45 (68200): wrapper (7.9.26016): starting
23:03:45 (68200): 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
23:03:46 (68200): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:03:46 (68200): 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
23:49:18 (68200): C:/Windows/system32/cmd.exe exited; CPU time 2539.421875
23:49:18 (68200): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 58984357 bytes.
Dumping objects ->
{3835232} normal block at 0x0000022C922A3AE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000022C904B4D30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000022C904B4C50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x0000022C904B49B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x0000022C904B4940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x0000022C92219B70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x0000022C9051A330, 140 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) : {3835143} normal block at 0x0000022C904B0080, 8 bytes long.
 Data: <    ,   > 00 00 8F 90 2C 02 00 00 
{3834543} normal block at 0x0000022C9051A190, 140 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 0x0000022C904B0670, 8 bytes long.
 Data: <p7'&#146;,   > 70 37 27 92 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022C904B08C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022C9049F130, 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 0x0000022C904B56C0, 16 bytes long.
 Data: < eK ,           > 98 65 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022C904B5EE0, 16 bytes long.
 Data: <peK ,           > 70 65 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022C904AF000, 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 0x0000022C904B5D50, 16 bytes long.
 Data: <HeK ,           > 48 65 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022C904B58A0, 16 bytes long.
 Data: < eK ,           > 20 65 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022C904B5620, 16 bytes long.
 Data: <&#248;dK ,           > F8 64 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022C904B5440, 16 bytes long.
 Data: <&#208;dK ,           > D0 64 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022C904B4A90, 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 0x0000022C904B6160, 16 bytes long.
 Data: <X J ,           > 58 8D 4A 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C904AF600, 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 0x0000022C904B5CB0, 16 bytes long.
 Data: <0 J ,           > 30 8D 4A 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022C904B5D00, 16 bytes long.
 Data: <  J ,           > 08 8D 4A 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022C904B5E40, 16 bytes long.
 Data: <&#224;&#140;J ,           > E0 8C 4A 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022C904B5C10, 16 bytes long.
 Data: <&#184;&#140;J ,           > B8 8C 4A 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022C904B5670, 16 bytes long.
 Data: < &#140;J ,           > 90 8C 4A 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C904B5530, 16 bytes long.
 Data: <h&#140;J ,           > 68 8C 4A 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022C904AEC40, 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 0x0000022C904B5BC0, 16 bytes long.
 Data: <@&#140;J ,           > 40 8C 4A 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022C904A8C40, 320 bytes long.
 Data: <&#192;[K ,   @&#236;J ,   > C0 5B 4B 90 2C 02 00 00 40 EC 4A 90 2C 02 00 00 
{276} normal block at 0x0000022C904B60C0, 16 bytes long.
 Data: <&#176;dK ,           > B0 64 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022C904B5A80, 16 bytes long.
 Data: < dK ,           > 88 64 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022C904AEAC0, 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 0x0000022C904B5DA0, 16 bytes long.
 Data: <`dK ,           > 60 64 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022C904AEFA0, 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 0x0000022C904B59E0, 16 bytes long.
 Data: <&#168;cK ,           > A8 63 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C904B55D0, 16 bytes long.
 Data: < cK ,           > 80 63 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022C904B5B70, 16 bytes long.
 Data: <XcK ,           > 58 63 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022C904B58F0, 16 bytes long.
 Data: <0cK ,           > 30 63 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022C904B5990, 16 bytes long.
 Data: < cK ,           > 08 63 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022C904B53F0, 16 bytes long.
 Data: <&#224;bK ,           > E0 62 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022C904B54E0, 16 bytes long.
 Data: <&#192;LK ,           > C0 4C 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022C904B4CC0, 40 bytes long.
 Data: <&#224;TK ,   p&#155;!&#146;,   > E0 54 4B 90 2C 02 00 00 70 9B 21 92 2C 02 00 00 
{262} normal block at 0x0000022C904B5C60, 16 bytes long.
 Data: <&#192;bK ,           > C0 62 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022C904B6070, 16 bytes long.
 Data: < bK ,           > 98 62 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022C904AF1E0, 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 0x0000022C904B5490, 16 bytes long.
 Data: <pbK ,           > 70 62 4B 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022C904B6270, 992 bytes long.
 Data: < TK ,   &#224;&#241;J ,   > 90 54 4B 90 2C 02 00 00 E0 F1 4A 90 2C 02 00 00 
{94} normal block at 0x0000022C904AF0C0, 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 0x0000022C904AFB30, 16 bytes long.
 Data: <&#176;&#246;I ,           > B0 F6 49 90 2C 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022C9049F6B0, 40 bytes long.
 Data: <0&#251;J ,   &#192;&#240;J ,   > 30 FB 4A 90 2C 02 00 00 C0 F0 4A 90 2C 02 00 00 
{71} normal block at 0x0000022C904B0260, 16 bytes long.
 Data: < &#234;&#194;j&#246;           > 80 EA C2 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022C904B0120, 16 bytes long.
 Data: <@&#233;&#194;j&#246;           > 40 E9 C2 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022C904B0530, 16 bytes long.
 Data: <&#248;W&#191;j&#246;           > F8 57 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022C904B0210, 16 bytes long.
 Data: <&#216;W&#191;j&#246;           > D8 57 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022C904AF9F0, 16 bytes long.
 Data: <P &#191;j&#246;           > 50 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022C904AF8B0, 16 bytes long.
 Data: <0 &#191;j&#246;           > 30 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022C904B05D0, 16 bytes long.
 Data: <&#224; &#191;j&#246;           > E0 02 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022C904B0580, 16 bytes long.
 Data: <  &#191;j&#246;           > 10 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022C904B03F0, 16 bytes long.
 Data: <p &#191;j&#246;           > 70 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022C904AFA40, 16 bytes long.
 Data: < &#192;&#189;j&#246;           > 18 C0 BD 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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