Task 38699279

Name test_6-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2363_0
Workunit 31639693
Created 3 Nov 2026, 22:49:46 UTC
Sent 3 Nov 2026, 22:49:53 UTC
Report deadline 8 Nov 2026, 22:49:53 UTC
Received 3 Nov 2026, 23:40:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 88340
Run time 46 min 1 sec
CPU time 44 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.80 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:54:28 (14844): wrapper (7.9.26016): starting
22:54:28 (14844): 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
22:54:29 (14844): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:54:29 (14844): 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
23:39:30 (14844): C:/Windows/system32/cmd.exe exited; CPU time 2656.843750
23:39:30 (14844): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 35470249 bytes.
Dumping objects ->
{3835307} normal block at 0x0000022C68D3D7A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x0000022C66F24730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x0000022C66F24C00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835274} normal block at 0x0000022C66F24B20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835263} normal block at 0x0000022C66F24A40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835232} normal block at 0x0000022C68D85580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000022C68D9EC00, 102 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) : {3835218} normal block at 0x0000022C66F1E5A0, 8 bytes long.
 Data: <  Gg,   > 00 00 47 67 2C 02 00 00 
{3834571} normal block at 0x0000022C68D9ECB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000022C66F1F270, 8 bytes long.
 Data: <07&#222;h,   > 30 37 DE 68 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022C66F20930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022C66F15E20, 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 0x0000022C66F25510, 16 bytes long.
 Data: < f&#242;f,           > 18 66 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022C66F25880, 16 bytes long.
 Data: <&#240;e&#242;f,           > F0 65 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022C66F1F980, 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 0x0000022C66F25F60, 16 bytes long.
 Data: <&#200;e&#242;f,           > C8 65 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022C66F25C90, 16 bytes long.
 Data: <&#160;e&#242;f,           > A0 65 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022C66F25C40, 16 bytes long.
 Data: <xe&#242;f,           > 78 65 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022C66F254C0, 16 bytes long.
 Data: <Pe&#242;f,           > 50 65 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C66F24B90, 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 0x0000022C66F258D0, 16 bytes long.
 Data: <x &#241;f,           > 78 8F F1 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022C66F1F9E0, 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 0x0000022C66F25D30, 16 bytes long.
 Data: <P &#241;f,           > 50 8F F1 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022C66F25470, 16 bytes long.
 Data: <( &#241;f,           > 28 8F F1 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022C66F25420, 16 bytes long.
 Data: <  &#241;f,           > 00 8F F1 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C66F25A10, 16 bytes long.
 Data: <&#216;&#142;&#241;f,           > D8 8E F1 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022C66F25830, 16 bytes long.
 Data: <&#176;&#142;&#241;f,           > B0 8E F1 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022C66F26280, 16 bytes long.
 Data: < &#142;&#241;f,           > 88 8E F1 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022C66F1F680, 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 0x0000022C66F25B50, 16 bytes long.
 Data: <`&#142;&#241;f,           > 60 8E F1 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022C66F18E60, 320 bytes long.
 Data: <P[&#242;f,    &#246;&#241;f,   > 50 5B F2 66 2C 02 00 00 80 F6 F1 66 2C 02 00 00 
{274} normal block at 0x0000022C66F25BF0, 16 bytes long.
 Data: <0e&#242;f,           > 30 65 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022C66F259C0, 16 bytes long.
 Data: < e&#242;f,           > 08 65 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022C66F20340, 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 0x0000022C66F25EC0, 16 bytes long.
 Data: <&#224;d&#242;f,           > E0 64 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C66F1F620, 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 0x0000022C66F25380, 16 bytes long.
 Data: <(d&#242;f,           > 28 64 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022C66F25B00, 16 bytes long.
 Data: < d&#242;f,           > 00 64 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022C66F25920, 16 bytes long.
 Data: <&#216;c&#242;f,           > D8 63 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022C66F26190, 16 bytes long.
 Data: <&#176;c&#242;f,           > B0 63 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022C66F26230, 16 bytes long.
 Data: < c&#242;f,           > 88 63 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022C66F25AB0, 16 bytes long.
 Data: <`c&#242;f,           > 60 63 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022C66F256F0, 16 bytes long.
 Data: <&#208;I&#242;f,           > D0 49 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022C66F249D0, 40 bytes long.
 Data: <&#240;V&#242;f,    U&#216;h,   > F0 56 F2 66 2C 02 00 00 80 55 D8 68 2C 02 00 00 
{260} normal block at 0x0000022C66F25A60, 16 bytes long.
 Data: <@c&#242;f,           > 40 63 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022C66F257E0, 16 bytes long.
 Data: < c&#242;f,           > 18 63 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022C66F1F8C0, 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 0x0000022C66F25330, 16 bytes long.
 Data: <&#240;b&#242;f,           > F0 62 F2 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022C66F262F0, 992 bytes long.
 Data: <0S&#242;f,   &#192;&#248;&#241;f,   > 30 53 F2 66 2C 02 00 00 C0 F8 F1 66 2C 02 00 00 
{92} normal block at 0x0000022C66F1FEC0, 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 0x0000022C66F1ED70, 16 bytes long.
 Data: <`&#228;&#241;f,           > 60 E4 F1 66 2C 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000022C66F1E460, 40 bytes long.
 Data: <p&#237;&#241;f,   &#192;&#254;&#241;f,   > 70 ED F1 66 2C 02 00 00 C0 FE F1 66 2C 02 00 00 
{69} normal block at 0x0000022C66F1EA50, 16 bytes long.
 Data: < &#234;Y&#255;&#247;           > 80 EA 59 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022C66F1F130, 16 bytes long.
 Data: <@&#233;Y&#255;&#247;           > 40 E9 59 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022C66F1ED20, 16 bytes long.
 Data: <&#248;WV&#255;&#247;           > F8 57 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022C66F1F310, 16 bytes long.
 Data: <&#216;WV&#255;&#247;           > D8 57 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022C66F1EA00, 16 bytes long.
 Data: <P V&#255;&#247;           > 50 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022C66F1ECD0, 16 bytes long.
 Data: <0 V&#255;&#247;           > 30 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022C66F1F4A0, 16 bytes long.
 Data: <&#224; V&#255;&#247;           > E0 02 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022C66F1F2C0, 16 bytes long.
 Data: <  V&#255;&#247;           > 10 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022C66F1E9B0, 16 bytes long.
 Data: <p V&#255;&#247;           > 70 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022C66F1E960, 16 bytes long.
 Data: < &#192;T&#255;&#247;           > 18 C0 54 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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