Task 38689298

Name test_263-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3083_0
Workunit 31630567
Created 28 Oct 2026, 19:57:05 UTC
Sent 28 Oct 2026, 19:57:12 UTC
Report deadline 2 Nov 2026, 19:57:12 UTC
Received 28 Oct 2026, 20:45:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 46 min 53 sec
CPU time 44 min 55 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 734.28 MB
Peak swap size 13.02 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:58:35 (34304): wrapper (7.9.26016): starting
15:58:35 (34304): 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
15:58:36 (34304): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:58:36 (34304): 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\33\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\33\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
16:44:18 (34304): C:/Windows/system32/cmd.exe exited; CPU time 2695.484375
16:44:18 (34304): 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: 63391279 bytes.
Dumping objects ->
{3835230} normal block at 0x000002CF8D0AD2A0, 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 0x000002CF8B2E4C60, 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 0x000002CF8B2E4B80, 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 0x000002CF8B2E4B10, 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 0x000002CF8B2E4A30, 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 0x000002CF8D0FC090, 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 0x000002CF8D0209D0, 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 0x000002CF8B2DFA60, 8 bytes long.
 Data: <  &#227;&#140;&#207;   > 00 00 E3 8C CF 02 00 00 
{3834544} normal block at 0x000002CF8D0208F0, 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 0x000002CF8B2DF790, 8 bytes long.
 Data: < <  &#207;   > 00 3C 15 8D CF 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002CF8B2E0BB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002CF8B2D6A30, 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 0x000002CF8B2E5830, 16 bytes long.
 Data: <&#168;g.&#139;&#207;           > A8 67 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002CF8B2E5F10, 16 bytes long.
 Data: < g.&#139;&#207;           > 80 67 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002CF8B2DF0B0, 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 0x000002CF8B2E5650, 16 bytes long.
 Data: <Xg.&#139;&#207;           > 58 67 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002CF8B2E5BF0, 16 bytes long.
 Data: <0g.&#139;&#207;           > 30 67 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002CF8B2E6140, 16 bytes long.
 Data: < g.&#139;&#207;           > 08 67 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002CF8B2E59C0, 16 bytes long.
 Data: <&#224;f.&#139;&#207;           > E0 66 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002CF8B2E4790, 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 0x000002CF8B2E5A60, 16 bytes long.
 Data: < &#181;,&#139;&#207;           > 98 B5 2C 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002CF8B2DF4D0, 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 0x000002CF8B2E5C40, 16 bytes long.
 Data: <p&#181;,&#139;&#207;           > 70 B5 2C 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002CF8B2E5EC0, 16 bytes long.
 Data: <H&#181;,&#139;&#207;           > 48 B5 2C 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002CF8B2E5560, 16 bytes long.
 Data: < &#181;,&#139;&#207;           > 20 B5 2C 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002CF8B2E5F60, 16 bytes long.
 Data: <&#248;&#180;,&#139;&#207;           > F8 B4 2C 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002CF8B2E5E70, 16 bytes long.
 Data: <&#208;&#180;,&#139;&#207;           > D0 B4 2C 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002CF8B2E60F0, 16 bytes long.
 Data: <&#168;&#180;,&#139;&#207;           > A8 B4 2C 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002CF8B2DE870, 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 0x000002CF8B2E56F0, 16 bytes long.
 Data: < &#180;,&#139;&#207;           > 80 B4 2C 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002CF8B2CB480, 320 bytes long.
 Data: <&#240;V.&#139;&#207;   p&#232;-&#139;&#207;   > F0 56 2E 8B CF 02 00 00 70 E8 2D 8B CF 02 00 00 
{275} normal block at 0x000002CF8B2E5E20, 16 bytes long.
 Data: <&#192;f.&#139;&#207;           > C0 66 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002CF8B2E58D0, 16 bytes long.
 Data: < f.&#139;&#207;           > 98 66 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CF8B2DF110, 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 0x000002CF8B2E5D80, 16 bytes long.
 Data: <pf.&#139;&#207;           > 70 66 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002CF8B2DE7B0, 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 0x000002CF8B2E5DD0, 16 bytes long.
 Data: <&#184;e.&#139;&#207;           > B8 65 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002CF8B2E5510, 16 bytes long.
 Data: < e.&#139;&#207;           > 90 65 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CF8B2E5D30, 16 bytes long.
 Data: <he.&#139;&#207;           > 68 65 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002CF8B2E55B0, 16 bytes long.
 Data: <@e.&#139;&#207;           > 40 65 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002CF8B2E5880, 16 bytes long.
 Data: < e.&#139;&#207;           > 18 65 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002CF8B2E5CE0, 16 bytes long.
 Data: <&#240;d.&#139;&#207;           > F0 64 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002CF8B2E5600, 16 bytes long.
 Data: <&#208;E.&#139;&#207;           > D0 45 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CF8B2E45D0, 40 bytes long.
 Data: < V.&#139;&#207;    &#192;  &#207;   > 00 56 2E 8B CF 02 00 00 90 C0 0F 8D CF 02 00 00 
{261} normal block at 0x000002CF8B2E6280, 16 bytes long.
 Data: <&#208;d.&#139;&#207;           > D0 64 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002CF8B2E5FB0, 16 bytes long.
 Data: <&#168;d.&#139;&#207;           > A8 64 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002CF8B2DF170, 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 0x000002CF8B2E57E0, 16 bytes long.
 Data: < d.&#139;&#207;           > 80 64 2E 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002CF8B2E6480, 992 bytes long.
 Data: <&#224;W.&#139;&#207;   p&#241;-&#139;&#207;   > E0 57 2E 8B CF 02 00 00 70 F1 2D 8B CF 02 00 00 
{93} normal block at 0x000002CF8B2DEB10, 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 0x000002CF8B2DFEC0, 16 bytes long.
 Data: < &#229;-&#139;&#207;           > 80 E5 2D 8B CF 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002CF8B2DE580, 40 bytes long.
 Data: <&#192;&#254;-&#139;&#207;    &#235;-&#139;&#207;   > C0 FE 2D 8B CF 02 00 00 10 EB 2D 8B CF 02 00 00 
{70} normal block at 0x000002CF8B2DFD30, 16 bytes long.
 Data: < &#234; 0&#247;           > 80 EA 13 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002CF8B2DFCE0, 16 bytes long.
 Data: <@&#233; 0&#247;           > 40 E9 13 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002CF8B2E05F0, 16 bytes long.
 Data: <&#248;W 0&#247;           > F8 57 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002CF8B2DF830, 16 bytes long.
 Data: <&#216;W 0&#247;           > D8 57 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002CF8B2E01E0, 16 bytes long.
 Data: <P  0&#247;           > 50 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002CF8B2E00F0, 16 bytes long.
 Data: <0  0&#247;           > 30 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002CF8B2DF6A0, 16 bytes long.
 Data: <&#224;  0&#247;           > E0 02 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002CF8B2E00A0, 16 bytes long.
 Data: <   0&#247;           > 10 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002CF8B2E0550, 16 bytes long.
 Data: <p  0&#247;           > 70 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002CF8B2E0500, 16 bytes long.
 Data: < &#192; 0&#247;           > 18 C0 0E 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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