Task 38666122

Name test_971-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND5906_0
Workunit 31609147
Created 25 Oct 2026, 2:05:51 UTC
Sent 25 Oct 2026, 4:16:37 UTC
Report deadline 30 Oct 2026, 4:16:37 UTC
Received 25 Oct 2026, 8:14:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 3 hours 53 min 35 sec
CPU time 3 hours 53 min 35 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.76 MB
Peak swap size 12.93 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:26:17 (20484): wrapper (7.9.26016): starting
23:26:17 (20484): 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
23:26:18 (20484): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:26:18 (20484): 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
03:13:44 (20484): C:/Windows/system32/cmd.exe exited; CPU time 14015.562500
03:13:44 (20484): 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: 211758235 bytes.
Dumping objects ->
{3835550} normal block at 0x000002180FE055B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000002180FE05CB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x000002180FE05C40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x000002180FE05620, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000002180FE05BD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x0000021811ACC8E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x0000021811B2D7E0, 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) : {3835461} normal block at 0x000002180FDFE6F0, 8 bytes long.
 Data: <        > 00 00 1F 10 18 02 00 00 
{3834683} normal block at 0x0000021811B2E440, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002180FDFDCA0, 8 bytes long.
 Data: < S&#183;     > 90 53 B7 11 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002180FDFFD10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002180FDF5930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002180FE04590, 16 bytes long.
 Data: <hT&#224;             > 68 54 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002180FE04DB0, 16 bytes long.
 Data: <@T&#224;             > 40 54 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002180FDFF460, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002180FE04220, 16 bytes long.
 Data: < T&#224;             > 18 54 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002180FE04D60, 16 bytes long.
 Data: <&#240;S&#224;             > F0 53 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002180FE04860, 16 bytes long.
 Data: <&#200;S&#224;             > C8 53 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002180FE04B80, 16 bytes long.
 Data: <&#160;S&#224;             > A0 53 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002180FE05850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002180FE04B30, 16 bytes long.
 Data: <8&#134;&#223;             > 38 86 DF 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002180FDFF820, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002180FE04F90, 16 bytes long.
 Data: < &#134;&#223;             > 10 86 DF 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002180FE04EA0, 16 bytes long.
 Data: <&#232;&#133;&#223;             > E8 85 DF 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002180FE04CC0, 16 bytes long.
 Data: <&#192;&#133;&#223;             > C0 85 DF 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002180FE04AE0, 16 bytes long.
 Data: < &#133;&#223;             > 98 85 DF 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002180FE05030, 16 bytes long.
 Data: <p&#133;&#223;             > 70 85 DF 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002180FE04D10, 16 bytes long.
 Data: <H&#133;&#223;             > 48 85 DF 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002180FDFF4C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002180FE047C0, 16 bytes long.
 Data: < &#133;&#223;             > 20 85 DF 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002180FDF8520, 320 bytes long.
 Data: <&#192;G&#224;     &#192;&#244;&#223;     > C0 47 E0 0F 18 02 00 00 C0 F4 DF 0F 18 02 00 00 
{273} normal block at 0x000002180FE04680, 16 bytes long.
 Data: < S&#224;             > 80 53 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002180FE04A40, 16 bytes long.
 Data: <XS&#224;             > 58 53 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002180FDFF100, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002180FE041D0, 16 bytes long.
 Data: <0S&#224;             > 30 53 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002180FDFF700, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002180FE04C70, 16 bytes long.
 Data: <xR&#224;             > 78 52 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002180FE049F0, 16 bytes long.
 Data: <PR&#224;             > 50 52 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002180FE04810, 16 bytes long.
 Data: <(R&#224;             > 28 52 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002180FE04540, 16 bytes long.
 Data: < R&#224;             > 00 52 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002180FE04BD0, 16 bytes long.
 Data: <&#216;Q&#224;             > D8 51 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002180FE049A0, 16 bytes long.
 Data: <&#176;Q&#224;             > B0 51 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002180FE048B0, 16 bytes long.
 Data: < &#228;&#222;             > 80 E4 DE 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002180FDEE480, 40 bytes long.
 Data: <&#176;H&#224;     &#224;&#200;&#172;     > B0 48 E0 0F 18 02 00 00 E0 C8 AC 11 18 02 00 00 
{259} normal block at 0x000002180FE04400, 16 bytes long.
 Data: < Q&#224;             > 90 51 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002180FE04C20, 16 bytes long.
 Data: <hQ&#224;             > 68 51 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002180FDFF7C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002180FE04450, 16 bytes long.
 Data: <@Q&#224;             > 40 51 E0 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002180FE05140, 992 bytes long.
 Data: <PD&#224;     &#192;&#247;&#223;     > 50 44 E0 0F 18 02 00 00 C0 F7 DF 0F 18 02 00 00 
{91} normal block at 0x000002180FDFF640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002180FDFE1A0, 16 bytes long.
 Data: <0&#220;&#222;             > 30 DC DE 0F 18 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002180FDEDC30, 40 bytes long.
 Data: <&#160;&#225;&#223;     @&#246;&#223;     > A0 E1 DF 0F 18 02 00 00 40 F6 DF 0F 18 02 00 00 
{68} normal block at 0x000002180FDFDE80, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002180FDFDDE0, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002180FDFE470, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002180FDFE380, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002180FDFDFC0, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002180FDFDF70, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002180FDFEA10, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002180FDFE740, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002180FDFDC50, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002180FDFE6A0, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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