Task 38685277

Name test_624-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0684_0
Workunit 31626752
Created 27 Oct 2026, 20:18:09 UTC
Sent 27 Oct 2026, 20:18:13 UTC
Report deadline 1 Nov 2026, 20:18:13 UTC
Received 27 Oct 2026, 21:41:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 54 min 9 sec
CPU time 52 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,942.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.71 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:47:34 (42228): wrapper (7.9.26016): starting
16:47:34 (42228): 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
16:47:35 (42228): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:47:35 (42228): 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\32\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\32\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
17:40:27 (42228): C:/Windows/system32/cmd.exe exited; CPU time 3122.390625
17:40:27 (42228): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 74165113 bytes.
Dumping objects ->
{3835230} normal block at 0x00000262B976B0B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000262B7A74950, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000262B7A748E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x00000262B7A74870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000262B7A74790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x00000262B975B410, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x00000262B96802D0, 160 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) : {3835141} normal block at 0x00000262B7A6FEE0, 8 bytes long.
 Data: <  &#244;&#183;b   > 00 00 F4 B7 62 02 00 00 
{3834544} normal block at 0x00000262B9680AB0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000262B7A705C0, 8 bytes long.
 Data: <&#192;L{&#185;b   > C0 4C 7B B9 62 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000262B7A713A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000262B7A66AA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000262B7A75590, 16 bytes long.
 Data: <&#232;f&#167;&#183;b           > E8 66 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000262B7A75EF0, 16 bytes long.
 Data: <&#192;f&#167;&#183;b           > C0 66 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000262B7A6F1E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000262B7A75E50, 16 bytes long.
 Data: < f&#167;&#183;b           > 98 66 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000262B7A75FE0, 16 bytes long.
 Data: <pf&#167;&#183;b           > 70 66 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000262B7A75B30, 16 bytes long.
 Data: <Hf&#167;&#183;b           > 48 66 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000262B7A75E00, 16 bytes long.
 Data: < f&#167;&#183;b           > 20 66 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000262B7A74C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000262B7A75400, 16 bytes long.
 Data: <( &#166;&#183;b           > 28 90 A6 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000262B7A6F180, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000262B7A76120, 16 bytes long.
 Data: <  &#166;&#183;b           > 00 90 A6 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000262B7A75810, 16 bytes long.
 Data: <&#216; &#166;&#183;b           > D8 8F A6 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000262B7A76210, 16 bytes long.
 Data: <&#176; &#166;&#183;b           > B0 8F A6 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000262B7A75A90, 16 bytes long.
 Data: <  &#166;&#183;b           > 88 8F A6 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000262B7A75C70, 16 bytes long.
 Data: <` &#166;&#183;b           > 60 8F A6 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000262B7A75540, 16 bytes long.
 Data: <8 &#166;&#183;b           > 38 8F A6 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000262B7A6EEE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000262B7A757C0, 16 bytes long.
 Data: <  &#166;&#183;b           > 10 8F A6 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000262B7A68F10, 320 bytes long.
 Data: <&#192;W&#167;&#183;b   &#224;&#238;&#166;&#183;b   > C0 57 A7 B7 62 02 00 00 E0 EE A6 B7 62 02 00 00 
{275} normal block at 0x00000262B7A75450, 16 bytes long.
 Data: < f&#167;&#183;b           > 00 66 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000262B7A754F0, 16 bytes long.
 Data: <&#216;e&#167;&#183;b           > D8 65 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000262B7A6F360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000262B7A75770, 16 bytes long.
 Data: <&#176;e&#167;&#183;b           > B0 65 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000262B7A6F2A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000262B7A760D0, 16 bytes long.
 Data: <&#248;d&#167;&#183;b           > F8 64 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000262B7A75680, 16 bytes long.
 Data: <&#208;d&#167;&#183;b           > D0 64 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000262B7A76030, 16 bytes long.
 Data: <&#168;d&#167;&#183;b           > A8 64 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000262B7A75DB0, 16 bytes long.
 Data: < d&#167;&#183;b           > 80 64 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000262B7A76080, 16 bytes long.
 Data: <Xd&#167;&#183;b           > 58 64 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000262B7A75EA0, 16 bytes long.
 Data: <0d&#167;&#183;b           > 30 64 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000262B7A75C20, 16 bytes long.
 Data: < K&#167;&#183;b           > 10 4B A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000262B7A74B10, 40 bytes long.
 Data: < \&#167;&#183;b    &#180;u&#185;b   > 20 5C A7 B7 62 02 00 00 10 B4 75 B9 62 02 00 00 
{261} normal block at 0x00000262B7A75720, 16 bytes long.
 Data: < d&#167;&#183;b           > 10 64 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000262B7A75AE0, 16 bytes long.
 Data: <&#232;c&#167;&#183;b           > E8 63 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000262B7A6EE80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000262B7A756D0, 16 bytes long.
 Data: <&#192;c&#167;&#183;b           > C0 63 A7 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000262B7A763C0, 992 bytes long.
 Data: <&#208;V&#167;&#183;b    &#238;&#166;&#183;b   > D0 56 A7 B7 62 02 00 00 80 EE A6 B7 62 02 00 00 
{93} normal block at 0x00000262B7A6EDC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000262B7A704D0, 16 bytes long.
 Data: <&#224;&#238;&#165;&#183;b           > E0 EE A5 B7 62 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000262B7A5EEE0, 40 bytes long.
 Data: <&#208; &#167;&#183;b   &#192;&#237;&#166;&#183;b   > D0 04 A7 B7 62 02 00 00 C0 ED A6 B7 62 02 00 00 
{70} normal block at 0x00000262B7A6FE40, 16 bytes long.
 Data: < &#234;&#244;&#133;&#246;           > 80 EA F4 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000262B7A6FE90, 16 bytes long.
 Data: <@&#233;&#244;&#133;&#246;           > 40 E9 F4 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000262B7A6FDF0, 16 bytes long.
 Data: <&#248;W&#241;&#133;&#246;           > F8 57 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000262B7A70070, 16 bytes long.
 Data: <&#216;W&#241;&#133;&#246;           > D8 57 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000262B7A70160, 16 bytes long.
 Data: <P &#241;&#133;&#246;           > 50 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000262B7A701B0, 16 bytes long.
 Data: <0 &#241;&#133;&#246;           > 30 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000262B7A6FDA0, 16 bytes long.
 Data: <&#224; &#241;&#133;&#246;           > E0 02 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000262B7A70430, 16 bytes long.
 Data: <  &#241;&#133;&#246;           > 10 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000262B7A703E0, 16 bytes long.
 Data: <p &#241;&#133;&#246;           > 70 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000262B7A6FC60, 16 bytes long.
 Data: < &#192;&#239;&#133;&#246;           > 18 C0 EF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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