Task 38671371

Name test_60-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND5548_0
Workunit 31613579
Created 25 Oct 2026, 20:18:55 UTC
Sent 25 Oct 2026, 20:19:02 UTC
Report deadline 30 Oct 2026, 20:19:02 UTC
Received 25 Oct 2026, 21:49:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 30 min 29 sec
CPU time 28 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 803.55 MB
Peak swap size 10.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:18:56 (33904): wrapper (7.9.26016): starting
23:18:56 (33904): 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
23:18:57 (33904): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:18:57 (33904): 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\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 'C:\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
23:48:43 (33904): C:/Windows/system32/cmd.exe exited; CPU time 1694.375000
23:48:43 (33904): 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: 50876991 bytes.
Dumping objects ->
{3835491} normal block at 0x00000203AE6FD260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x00000203AE6FCA80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x00000203AE6FD730, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x00000203ACA05400, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x00000203ACA04E50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x00000203AE747440, 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) : {3835403} normal block at 0x00000203AC9FE390, 8 bytes long.
 Data: <  &#233;&#172;    > 00 00 E9 AC 03 02 00 00 
{3833963} normal block at 0x00000203AC9FD7B0, 8 bytes long.
 Data: < G&#160;&#172;    > 10 47 A0 AC 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000203ACA015B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000203AC9F6620, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000203ACA06650, 16 bytes long.
 Data: <hl&#160;&#172;            > 68 6C A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000203ACA06830, 16 bytes long.
 Data: <@l&#160;&#172;            > 40 6C A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000203AC9FF8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000203ACA06470, 16 bytes long.
 Data: < l&#160;&#172;            > 18 6C A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000203ACA063D0, 16 bytes long.
 Data: <&#240;k&#160;&#172;            > F0 6B A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000203ACA05E80, 16 bytes long.
 Data: <&#200;k&#160;&#172;            > C8 6B A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000203ACA05D40, 16 bytes long.
 Data: <&#160;k&#160;&#172;            > A0 6B A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000203ACA04F30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000203ACA068D0, 16 bytes long.
 Data: < &#245;&#158;&#172;            > 98 F5 9E AC 03 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000203ACA00000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000203ACA06790, 16 bytes long.
 Data: <p&#245;&#158;&#172;            > 70 F5 9E AC 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000203ACA05AC0, 16 bytes long.
 Data: <H&#245;&#158;&#172;            > 48 F5 9E AC 03 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000203ACA05C50, 16 bytes long.
 Data: < &#245;&#158;&#172;            > 20 F5 9E AC 03 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000203ACA06420, 16 bytes long.
 Data: <&#248;&#244;&#158;&#172;            > F8 F4 9E AC 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000203ACA06740, 16 bytes long.
 Data: <&#208;&#244;&#158;&#172;            > D0 F4 9E AC 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000203ACA060B0, 16 bytes long.
 Data: <&#168;&#244;&#158;&#172;            > A8 F4 9E AC 03 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000203AC9FF880, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000203ACA061A0, 16 bytes long.
 Data: < &#244;&#158;&#172;            > 80 F4 9E AC 03 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000203AC9EF480, 320 bytes long.
 Data: <&#160;a&#160;&#172;     &#248;&#159;&#172;    > A0 61 A0 AC 03 02 00 00 80 F8 9F AC 03 02 00 00 
{277} normal block at 0x00000203ACA061F0, 16 bytes long.
 Data: < k&#160;&#172;            > 80 6B A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000203ACA05F20, 16 bytes long.
 Data: <Xk&#160;&#172;            > 58 6B A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000203AC9FF3A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000203ACA05ED0, 16 bytes long.
 Data: <0k&#160;&#172;            > 30 6B A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000203AC9FFC40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000203ACA05CF0, 16 bytes long.
 Data: <xj&#160;&#172;            > 78 6A A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000203ACA05FC0, 16 bytes long.
 Data: <Pj&#160;&#172;            > 50 6A A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000203ACA05980, 16 bytes long.
 Data: <(j&#160;&#172;            > 28 6A A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000203ACA066F0, 16 bytes long.
 Data: < j&#160;&#172;            > 00 6A A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000203ACA05D90, 16 bytes long.
 Data: <&#216;i&#160;&#172;            > D8 69 A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000203ACA06010, 16 bytes long.
 Data: <&#176;i&#160;&#172;            > B0 69 A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000203ACA059D0, 16 bytes long.
 Data: <&#240;P&#160;&#172;            > F0 50 A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000203ACA050F0, 40 bytes long.
 Data: <&#208;Y&#160;&#172;    @tt&#174;    > D0 59 A0 AC 03 02 00 00 40 74 74 AE 03 02 00 00 
{263} normal block at 0x00000203ACA05F70, 16 bytes long.
 Data: < i&#160;&#172;            > 90 69 A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000203ACA06600, 16 bytes long.
 Data: <hi&#160;&#172;            > 68 69 A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000203AC9FFEE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000203ACA062E0, 16 bytes long.
 Data: <@i&#160;&#172;            > 40 69 A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000203ACA06940, 992 bytes long.
 Data: <&#224;b&#160;&#172;    &#224;&#254;&#159;&#172;    > E0 62 A0 AC 03 02 00 00 E0 FE 9F AC 03 02 00 00 
{95} normal block at 0x00000203AC9FFCA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000203AC9FDA30, 16 bytes long.
 Data: <&#192;N&#160;&#172;            > C0 4E A0 AC 03 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000203ACA04EC0, 40 bytes long.
 Data: <0&#218;&#159;&#172;    &#160;&#252;&#159;&#172;    > 30 DA 9F AC 03 02 00 00 A0 FC 9F AC 03 02 00 00 
{72} normal block at 0x00000203AC9FD6C0, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000203AC9FE430, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000203AC9FD530, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000203AC9FD4E0, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000203AC9FD710, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000203AC9FD800, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000203AC9FE200, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000203AC9FD9E0, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000203AC9FE2F0, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000203AC9FE3E0, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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