Task 38678734

Name test_16-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND9582_0
Workunit 31620541
Created 26 Oct 2026, 18:20:19 UTC
Sent 26 Oct 2026, 18:20:23 UTC
Report deadline 31 Oct 2026, 18:20:23 UTC
Received 26 Oct 2026, 18:50:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648521
Run time 25 min 36 sec
CPU time 23 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,690.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.49 MB
Peak swap size 9.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:23:32 (8364): wrapper (7.9.26016): starting
14:23:32 (8364): 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
14:23:33 (8364): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:23:33 (8364): 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\1\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\1\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
14:48:20 (8364): C:/Windows/system32/cmd.exe exited; CPU time 1393.890625
14:48:20 (8364): 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: 22747293 bytes.
Dumping objects ->
{3835280} normal block at 0x00000241F85149A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x00000241F8514930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x00000241F85148C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x00000241F85147E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000241F8514690, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x00000241FA233630, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000241F856D4A0, 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) : {3835191} normal block at 0x00000241F850F120, 8 bytes long.
 Data: <  &#167;&#248;A   > 00 00 A7 F8 41 02 00 00 
{3834567} normal block at 0x00000241F856D230, 140 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 0x00000241F850F0D0, 8 bytes long.
 Data: < &#235;^&#248;A   > 80 EB 5E F8 41 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000241F85109C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000241F84FF260, 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 0x00000241F85154A0, 16 bytes long.
 Data: <hRQ&#248;A           > 68 52 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000241F8515C20, 16 bytes long.
 Data: <@RQ&#248;A           > 40 52 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000241F8510210, 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 0x00000241F8515EF0, 16 bytes long.
 Data: < RQ&#248;A           > 18 52 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000241F85157C0, 16 bytes long.
 Data: <&#240;QQ&#248;A           > F0 51 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000241F8515E00, 16 bytes long.
 Data: <&#200;QQ&#248;A           > C8 51 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000241F8515DB0, 16 bytes long.
 Data: <&#160;QQ&#248;A           > A0 51 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000241F8514620, 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 0x00000241F8515770, 16 bytes long.
 Data: <&#184;&#180;O&#248;A           > B8 B4 4F F8 41 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000241F8510150, 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 0x00000241F8515EA0, 16 bytes long.
 Data: < &#180;O&#248;A           > 90 B4 4F F8 41 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000241F85153B0, 16 bytes long.
 Data: <h&#180;O&#248;A           > 68 B4 4F F8 41 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000241F8515720, 16 bytes long.
 Data: <@&#180;O&#248;A           > 40 B4 4F F8 41 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000241F8516300, 16 bytes long.
 Data: < &#180;O&#248;A           > 18 B4 4F F8 41 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000241F8515D60, 16 bytes long.
 Data: <&#240;&#179;O&#248;A           > F0 B3 4F F8 41 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000241F8516170, 16 bytes long.
 Data: <&#200;&#179;O&#248;A           > C8 B3 4F F8 41 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000241F85100F0, 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 0x00000241F8515BD0, 16 bytes long.
 Data: <&#160;&#179;O&#248;A           > A0 B3 4F F8 41 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000241F84FB3A0, 320 bytes long.
 Data: <&#208;[Q&#248;A   &#240; Q&#248;A   > D0 5B 51 F8 41 02 00 00 F0 00 51 F8 41 02 00 00 
{273} normal block at 0x00000241F8515630, 16 bytes long.
 Data: < QQ&#248;A           > 80 51 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000241F8515B30, 16 bytes long.
 Data: <XQQ&#248;A           > 58 51 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000241F850FC70, 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 0x00000241F85156D0, 16 bytes long.
 Data: <0QQ&#248;A           > 30 51 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000241F850F8B0, 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 0x00000241F8515E50, 16 bytes long.
 Data: <xPQ&#248;A           > 78 50 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000241F85160D0, 16 bytes long.
 Data: <PPQ&#248;A           > 50 50 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000241F8516030, 16 bytes long.
 Data: <(PQ&#248;A           > 28 50 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000241F8516080, 16 bytes long.
 Data: < PQ&#248;A           > 00 50 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000241F8516120, 16 bytes long.
 Data: <&#216;OQ&#248;A           > D8 4F 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000241F850EC70, 16 bytes long.
 Data: <&#176;OQ&#248;A           > B0 4F 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000241F850E950, 16 bytes long.
 Data: < CQ&#248;A           > 80 43 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000241F8514380, 40 bytes long.
 Data: <P&#233;P&#248;A   06#&#250;A   > 50 E9 50 F8 41 02 00 00 30 36 23 FA 41 02 00 00 
{259} normal block at 0x00000241F850E810, 16 bytes long.
 Data: < OQ&#248;A           > 90 4F 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000241F850E770, 16 bytes long.
 Data: <hOQ&#248;A           > 68 4F 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000241F850F670, 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 0x00000241F850E680, 16 bytes long.
 Data: <@OQ&#248;A           > 40 4F 51 F8 41 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000241F8514F40, 992 bytes long.
 Data: < &#230;P&#248;A   p&#246;P&#248;A   > 80 E6 50 F8 41 02 00 00 70 F6 50 F8 41 02 00 00 
{91} normal block at 0x00000241F850FF70, 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 0x00000241F850E4A0, 16 bytes long.
 Data: <P&#220;O&#248;A           > 50 DC 4F F8 41 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000241F84FDC50, 40 bytes long.
 Data: <&#160;&#228;P&#248;A   p&#255;P&#248;A   > A0 E4 50 F8 41 02 00 00 70 FF 50 F8 41 02 00 00 
{68} normal block at 0x00000241F850E720, 16 bytes long.
 Data: < &#234;H{&#247;           > 80 EA 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000241F850EEA0, 16 bytes long.
 Data: <@&#233;H{&#247;           > 40 E9 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000241F850E360, 16 bytes long.
 Data: <&#248;WE{&#247;           > F8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000241F850E3B0, 16 bytes long.
 Data: <&#216;WE{&#247;           > D8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000241F850F210, 16 bytes long.
 Data: <P E{&#247;           > 50 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000241F850F1C0, 16 bytes long.
 Data: <0 E{&#247;           > 30 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000241F850EE50, 16 bytes long.
 Data: <&#224; E{&#247;           > E0 02 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000241F850E9F0, 16 bytes long.
 Data: <  E{&#247;           > 10 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000241F850EFE0, 16 bytes long.
 Data: <p E{&#247;           > 70 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000241F850F2B0, 16 bytes long.
 Data: < &#192;C{&#247;           > 18 C0 43 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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