Task 38664001

Name test_673-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8883_0
Workunit 31607183
Created 24 Oct 2026, 23:02:11 UTC
Sent 24 Oct 2026, 23:02:18 UTC
Report deadline 29 Oct 2026, 23:02:18 UTC
Received 25 Oct 2026, 1:05:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648025
Run time 17 min 51 sec
CPU time 16 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 46,380.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.07 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>
20:21:15 (1536): wrapper (7.9.26016): starting
20:21:15 (1536): 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
20:21:16 (1536): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:21:16 (1536): 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
20:38:22 (1536): C:/Windows/system32/cmd.exe exited; CPU time 1013.984375
20:38:22 (1536): 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: 20362455 bytes.
Dumping objects ->
{3835270} normal block at 0x0000028382131080, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000028382130360, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x00000283821310F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x0000028382130520, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000283804E4BA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000002838217A120, 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) : {3835182} normal block at 0x00000283804DF490, 8 bytes long.
 Data: <  H &#131;   > 00 00 48 80 83 02 00 00 
{3833955} normal block at 0x00000283804DFE40, 8 bytes long.
 Data: <&#224;  &#130;&#131;   > E0 16 19 82 83 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000283804DCEF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000283804D5840, 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 0x00000283804E9110, 16 bytes long.
 Data: < &#163;N &#131;           > 08 A3 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000283804E9980, 16 bytes long.
 Data: <&#224;&#162;N &#131;           > E0 A2 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000283804E56D0, 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 0x00000283804E97A0, 16 bytes long.
 Data: <&#184;&#162;N &#131;           > B8 A2 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000283804E9390, 16 bytes long.
 Data: < &#162;N &#131;           > 90 A2 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000283804E9250, 16 bytes long.
 Data: <h&#162;N &#131;           > 68 A2 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000283804E9750, 16 bytes long.
 Data: <@&#162;N &#131;           > 40 A2 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000283804E4CF0, 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 0x00000283804E9CF0, 16 bytes long.
 Data: <XUM &#131;           > 58 55 4D 80 83 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000283804E4FB0, 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 0x00000283804E9700, 16 bytes long.
 Data: <0UM &#131;           > 30 55 4D 80 83 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000283804E9C50, 16 bytes long.
 Data: < UM &#131;           > 08 55 4D 80 83 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000283804E90C0, 16 bytes long.
 Data: <&#224;TM &#131;           > E0 54 4D 80 83 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000283804E99D0, 16 bytes long.
 Data: <&#184;TM &#131;           > B8 54 4D 80 83 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000283804E9DE0, 16 bytes long.
 Data: < TM &#131;           > 90 54 4D 80 83 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000283804E98E0, 16 bytes long.
 Data: <hTM &#131;           > 68 54 4D 80 83 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000283804E51F0, 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 0x00000283804E9340, 16 bytes long.
 Data: <@TM &#131;           > 40 54 4D 80 83 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000283804D5440, 320 bytes long.
 Data: <@&#147;N &#131;   &#240;QN &#131;   > 40 93 4E 80 83 02 00 00 F0 51 4E 80 83 02 00 00 
{273} normal block at 0x00000283804E9C00, 16 bytes long.
 Data: < &#162;N &#131;           > 20 A2 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000283804E9070, 16 bytes long.
 Data: <&#248;&#161;N &#131;           > F8 A1 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000283804E4F50, 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 0x00000283804E9D90, 16 bytes long.
 Data: <&#208;&#161;N &#131;           > D0 A1 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000283804E5E50, 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 0x00000283804E9F70, 16 bytes long.
 Data: < &#161;N &#131;           > 18 A1 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000283804E9CA0, 16 bytes long.
 Data: <&#240;&#160;N &#131;           > F0 A0 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000283804E92F0, 16 bytes long.
 Data: <&#200;&#160;N &#131;           > C8 A0 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000283804E9020, 16 bytes long.
 Data: <&#160;&#160;N &#131;           > A0 A0 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000283804E9890, 16 bytes long.
 Data: <x&#160;N &#131;           > 78 A0 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000283804E9660, 16 bytes long.
 Data: <P&#160;N &#131;           > 50 A0 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000283804E9E30, 16 bytes long.
 Data: <`MN &#131;           > 60 4D 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000283804E4D60, 40 bytes long.
 Data: <0&#158;N &#131;    &#161; &#130;&#131;   > 30 9E 4E 80 83 02 00 00 20 A1 17 82 83 02 00 00 
{259} normal block at 0x00000283804E9570, 16 bytes long.
 Data: <0&#160;N &#131;           > 30 A0 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000283804E92A0, 16 bytes long.
 Data: < &#160;N &#131;           > 08 A0 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000283804E5D30, 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 0x00000283804E9F20, 16 bytes long.
 Data: <&#224;&#159;N &#131;           > E0 9F 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000283804E9FE0, 992 bytes long.
 Data: < &#159;N &#131;   0]N &#131;   > 20 9F 4E 80 83 02 00 00 30 5D 4E 80 83 02 00 00 
{91} normal block at 0x00000283804E5190, 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 0x00000283804DFBC0, 16 bytes long.
 Data: <@GN &#131;           > 40 47 4E 80 83 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000283804E4740, 40 bytes long.
 Data: <&#192;&#251;M &#131;    QN &#131;   > C0 FB 4D 80 83 02 00 00 90 51 4E 80 83 02 00 00 
{68} normal block at 0x00000283804DF8A0, 16 bytes long.
 Data: < &#234;+d&#246;           > 80 EA 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000283804DF620, 16 bytes long.
 Data: <@&#233;+d&#246;           > 40 E9 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000283804DFDA0, 16 bytes long.
 Data: <&#248;W(d&#246;           > F8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000283804DFDF0, 16 bytes long.
 Data: <&#216;W(d&#246;           > D8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000283804DFC10, 16 bytes long.
 Data: <P (d&#246;           > 50 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000283804DF530, 16 bytes long.
 Data: <0 (d&#246;           > 30 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000283804DF260, 16 bytes long.
 Data: <&#224; (d&#246;           > E0 02 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000283804DFD50, 16 bytes long.
 Data: <  (d&#246;           > 10 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000283804DFEE0, 16 bytes long.
 Data: <p (d&#246;           > 70 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000283804DFE90, 16 bytes long.
 Data: < &#192;&d&#246;           > 18 C0 26 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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