Task 38668925

Name test_733-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND6306_3
Workunit 31611205
Created 25 Oct 2026, 13:08:16 UTC
Sent 25 Oct 2026, 13:08:27 UTC
Report deadline 30 Oct 2026, 13:08:27 UTC
Received 25 Oct 2026, 14:07:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643201
Run time 19 min 2 sec
CPU time 19 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,192.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.72 MB
Peak swap size 5.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:44:50 (30528): wrapper (7.9.26016): starting
14:44:50 (30528): 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
14:44:51 (30528): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:44:51 (30528): 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
15:06:06 (30528): C:/Windows/system32/cmd.exe exited; CPU time 1142.812500
15:06:06 (30528): 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: 24258277 bytes.
Dumping objects ->
{3835256} normal block at 0x0000027F4AC68700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000027F48FF4730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000027F48FF46C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x0000027F48FF4650, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000027F48FF4B20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x0000027F4AC79AF0, 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) : {3835168} normal block at 0x0000027F48FF0170, 8 bytes long.
 Data: <  &#247;H    > 00 00 F7 48 7F 02 00 00 
{3833957} normal block at 0x0000027F48FEF6D0, 8 bytes long.
 Data: <&#208;F&#205;J    > D0 46 CD 4A 7F 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000027F48FE5EA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027F48FE7920, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000027F48FF5E90, 16 bytes long.
 Data: <&#200;d&#255;H            > C8 64 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027F48FF5350, 16 bytes long.
 Data: <&#160;d&#255;H            > A0 64 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027F48FF0680, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000027F48FF57B0, 16 bytes long.
 Data: <xd&#255;H            > 78 64 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027F48FF5B20, 16 bytes long.
 Data: <Pd&#255;H            > 50 64 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027F48FF5490, 16 bytes long.
 Data: <(d&#255;H            > 28 64 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027F48FF5DA0, 16 bytes long.
 Data: < d&#255;H            > 00 64 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027F48FF47A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000027F48FF5300, 16 bytes long.
 Data: <&#168;&#158;&#254;H            > A8 9E FE 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027F48FF1280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000027F48FF5260, 16 bytes long.
 Data: < &#158;&#254;H            > 80 9E FE 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027F48FF5030, 16 bytes long.
 Data: <X&#158;&#254;H            > 58 9E FE 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027F48FF5800, 16 bytes long.
 Data: <0&#158;&#254;H            > 30 9E FE 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027F48FF5AD0, 16 bytes long.
 Data: < &#158;&#254;H            > 08 9E FE 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027F48FF5440, 16 bytes long.
 Data: <&#224; &#254;H            > E0 9D FE 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027F48FF5080, 16 bytes long.
 Data: <&#184; &#254;H            > B8 9D FE 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027F48FF1340, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000027F48FF5B70, 16 bytes long.
 Data: <  &#254;H            > 90 9D FE 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027F48FE9D90, 320 bytes long.
 Data: <p[&#255;H    @ &#255;H    > 70 5B FF 48 7F 02 00 00 40 13 FF 48 7F 02 00 00 
{274} normal block at 0x0000027F48FF5A80, 16 bytes long.
 Data: <&#224;c&#255;H            > E0 63 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027F48FF5C60, 16 bytes long.
 Data: <&#184;c&#255;H            > B8 63 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027F48FF0A40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000027F48FF56C0, 16 bytes long.
 Data: < c&#255;H            > 90 63 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027F48FF0F20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000027F48FF5210, 16 bytes long.
 Data: <&#216;b&#255;H            > D8 62 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027F48FF51C0, 16 bytes long.
 Data: <&#176;b&#255;H            > B0 62 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027F48FF5620, 16 bytes long.
 Data: < b&#255;H            > 88 62 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027F48FF5530, 16 bytes long.
 Data: <`b&#255;H            > 60 62 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027F48FF5170, 16 bytes long.
 Data: <8b&#255;H            > 38 62 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027F48FF5A30, 16 bytes long.
 Data: < b&#255;H            > 10 62 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027F48FF5DF0, 16 bytes long.
 Data: < H&#255;H            > 80 48 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027F48FF4880, 40 bytes long.
 Data: <&#240;]&#255;H    &#240;&#154;&#199;J    > F0 5D FF 48 7F 02 00 00 F0 9A C7 4A 7F 02 00 00 
{260} normal block at 0x0000027F48FF5D50, 16 bytes long.
 Data: <&#240;a&#255;H            > F0 61 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027F48FF5E40, 16 bytes long.
 Data: <&#200;a&#255;H            > C8 61 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027F48FF1160, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000027F48FF52B0, 16 bytes long.
 Data: <&#160;a&#255;H            > A0 61 FF 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027F48FF61A0, 992 bytes long.
 Data: <&#176;R&#255;H    ` &#255;H    > B0 52 FF 48 7F 02 00 00 60 11 FF 48 7F 02 00 00 
{92} normal block at 0x0000027F48FF0BC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000027F48FEF950, 16 bytes long.
 Data: <p&#238;&#253;H            > 70 EE FD 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000027F48FDEE70, 40 bytes long.
 Data: <P&#249;&#254;H    &#192; &#255;H    > 50 F9 FE 48 7F 02 00 00 C0 0B FF 48 7F 02 00 00 
{69} normal block at 0x0000027F48FEFC70, 16 bytes long.
 Data: < &#234;F7&#247;           > 80 EA 46 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027F48FF0030, 16 bytes long.
 Data: <@&#233;F7&#247;           > 40 E9 46 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027F48FEFD60, 16 bytes long.
 Data: <&#248;WC7&#247;           > F8 57 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027F48FEFFE0, 16 bytes long.
 Data: <&#216;WC7&#247;           > D8 57 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027F48FEFF90, 16 bytes long.
 Data: <P C7&#247;           > 50 04 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027F48FEFEA0, 16 bytes long.
 Data: <0 C7&#247;           > 30 04 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027F48FEFE50, 16 bytes long.
 Data: <&#224; C7&#247;           > E0 02 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027F48FEFD10, 16 bytes long.
 Data: <  C7&#247;           > 10 04 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027F48FF03F0, 16 bytes long.
 Data: <p C7&#247;           > 70 04 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027F48FF0120, 16 bytes long.
 Data: < &#192;A7&#247;           > 18 C0 41 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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