Task 38668668

Name test_352-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND2119_1
Workunit 31611098
Created 25 Oct 2026, 12:24:25 UTC
Sent 25 Oct 2026, 12:24:31 UTC
Report deadline 30 Oct 2026, 12:24:31 UTC
Received 25 Oct 2026, 12:53:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627058
Run time 27 min 53 sec
CPU time 27 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,795.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.91 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:24:39 (24924): wrapper (7.9.26016): starting
13:24:39 (24924): 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
13:24:40 (24924): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:24:40 (24924): 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\51\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\51\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
13:52:28 (24924): C:/Windows/system32/cmd.exe exited; CPU time 1629.828125
13:52:28 (24924): 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: 30949579 bytes.
Dumping objects ->
{3835524} normal block at 0x0000021818CCDB60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835513} normal block at 0x0000021818CCDF50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000021817015440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835491} normal block at 0x00000218170153D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000021817015210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835449} normal block at 0x0000021818D1AFB0, 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) : {3835436} normal block at 0x000002181700E270, 8 bytes long.
 Data: <  &#251;     > 00 00 FB 16 18 02 00 00 
{3833967} normal block at 0x000002181700E4F0, 8 bytes long.
 Data: <&#208;&#229;      > D0 E5 0E 17 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021817011F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021817006FC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000021817015A40, 16 bytes long.
 Data: < o              > 18 6F 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021817015950, 16 bytes long.
 Data: <&#240;n              > F0 6E 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002181700F670, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000021817016260, 16 bytes long.
 Data: <&#200;n              > C8 6E 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021817016030, 16 bytes long.
 Data: <&#160;n              > A0 6E 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000218170168A0, 16 bytes long.
 Data: <xn              > 78 6E 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021817015D60, 16 bytes long.
 Data: <Pn              > 50 6E 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000218170152F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000021817016210, 16 bytes long.
 Data: < &#185;&#255;             > 88 B9 FF 16 18 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002181700F5B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000021817016670, 16 bytes long.
 Data: <`&#185;&#255;             > 60 B9 FF 16 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021817015FE0, 16 bytes long.
 Data: <8&#185;&#255;             > 38 B9 FF 16 18 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021817015D10, 16 bytes long.
 Data: < &#185;&#255;             > 10 B9 FF 16 18 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021817015EF0, 16 bytes long.
 Data: <&#232;&#184;&#255;             > E8 B8 FF 16 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021817016580, 16 bytes long.
 Data: <&#192;&#184;&#255;             > C0 B8 FF 16 18 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000218170161C0, 16 bytes long.
 Data: < &#184;&#255;             > 98 B8 FF 16 18 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002181700F490, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000218170159F0, 16 bytes long.
 Data: <p&#184;&#255;             > 70 B8 FF 16 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021816FFB870, 320 bytes long.
 Data: <&#240;Y       &#244;      > F0 59 01 17 18 02 00 00 90 F4 00 17 18 02 00 00 
{279} normal block at 0x0000021817016850, 16 bytes long.
 Data: <0n              > 30 6E 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021817016800, 16 bytes long.
 Data: < n              > 08 6E 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002181700F6D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000021817016120, 16 bytes long.
 Data: <&#224;m              > E0 6D 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002181700FB50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000021817015CC0, 16 bytes long.
 Data: <(m              > 28 6D 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021817016620, 16 bytes long.
 Data: < m              > 00 6D 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000218170160D0, 16 bytes long.
 Data: <&#216;l              > D8 6C 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021817015F90, 16 bytes long.
 Data: <&#176;l              > B0 6C 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021817015C20, 16 bytes long.
 Data: < l              > 88 6C 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021817015EA0, 16 bytes long.
 Data: <`l              > 60 6C 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021817016080, 16 bytes long.
 Data: <&#176;M              > B0 4D 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021817014DB0, 40 bytes long.
 Data: < `      &#176;&#175;&#209;     > 80 60 01 17 18 02 00 00 B0 AF D1 18 18 02 00 00 
{265} normal block at 0x00000218170159A0, 16 bytes long.
 Data: <@l              > 40 6C 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021817016760, 16 bytes long.
 Data: < l              > 18 6C 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021817010150, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000021817015E00, 16 bytes long.
 Data: <&#240;k              > F0 6B 01 17 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021817016BF0, 992 bytes long.
 Data: < ^      P       > 00 5E 01 17 18 02 00 00 50 01 01 17 18 02 00 00 
{97} normal block at 0x000002181700F8B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002181700E220, 16 bytes long.
 Data: <&#240;&#220;&#255;             > F0 DC FF 16 18 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000021816FFDCF0, 40 bytes long.
 Data: < &#226;      &#176;&#248;      > 20 E2 00 17 18 02 00 00 B0 F8 00 17 18 02 00 00 
{74} normal block at 0x000002181700D910, 16 bytes long.
 Data: < &#234;&#151; &#247;           > 80 EA 97 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002181700DE60, 16 bytes long.
 Data: <@&#233;&#151; &#247;           > 40 E9 97 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002181700D960, 16 bytes long.
 Data: <&#248;W&#148; &#247;           > F8 57 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002181700E180, 16 bytes long.
 Data: <&#216;W&#148; &#247;           > D8 57 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002181700E130, 16 bytes long.
 Data: <P &#148; &#247;           > 50 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002181700DF50, 16 bytes long.
 Data: <0 &#148; &#247;           > 30 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002181700DC80, 16 bytes long.
 Data: <&#224; &#148; &#247;           > E0 02 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002181700DA00, 16 bytes long.
 Data: <  &#148; &#247;           > 10 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002181700DB90, 16 bytes long.
 Data: <p &#148; &#247;           > 70 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002181700D8C0, 16 bytes long.
 Data: < &#192;&#146; &#247;           > 18 C0 92 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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