Task 38672869

Name test_751-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9384_0
Workunit 31614984
Created 26 Oct 2026, 0:45:07 UTC
Sent 26 Oct 2026, 0:45:15 UTC
Report deadline 31 Oct 2026, 0:45:15 UTC
Received 26 Oct 2026, 1:14:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652004
Run time 26 min 34 sec
CPU time 24 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.39 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:48:35 (19232): wrapper (7.9.26016): starting
18:48:35 (19232): 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
18:48:37 (19232): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:48:37 (19232): 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
19:14:07 (19232): C:/Windows/system32/cmd.exe exited; CPU time 1492.546875
19:14:07 (19232): 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: 9137565 bytes.
Dumping objects ->
{3835257} normal block at 0x000001B89F394880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001B89F394810, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000001B89F3947A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x000001B89F394730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001B89F3946C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x000001B8A10AA330, 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) : {3835169} normal block at 0x000001B89F38EAF0, 8 bytes long.
 Data: <  4&#159;&#184;   > 00 00 34 9F B8 01 00 00 
{3833955} normal block at 0x000001B89F38EE60, 8 bytes long.
 Data: < &#230;F&#159;&#184;   > 20 E6 46 9F B8 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001B89F390CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B89F386930, 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 0x000001B89F3965B0, 16 bytes long.
 Data: < V9&#159;&#184;           > 08 56 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B89F395B10, 16 bytes long.
 Data: <&#224;U9&#159;&#184;           > E0 55 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B89F38FC20, 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 0x000001B89F395AC0, 16 bytes long.
 Data: <&#184;U9&#159;&#184;           > B8 55 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B89F395A70, 16 bytes long.
 Data: < U9&#159;&#184;           > 90 55 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B89F396650, 16 bytes long.
 Data: <hU9&#159;&#184;           > 68 55 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B89F3958E0, 16 bytes long.
 Data: <@U9&#159;&#184;           > 40 55 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B89F3948F0, 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 0x000001B89F3964C0, 16 bytes long.
 Data: <H 8&#159;&#184;           > 48 8F 38 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B89F38FF20, 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 0x000001B89F3962E0, 16 bytes long.
 Data: <  8&#159;&#184;           > 20 8F 38 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B89F396420, 16 bytes long.
 Data: <&#248;&#142;8&#159;&#184;           > F8 8E 38 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B89F3959D0, 16 bytes long.
 Data: <&#208;&#142;8&#159;&#184;           > D0 8E 38 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B89F3957A0, 16 bytes long.
 Data: <&#168;&#142;8&#159;&#184;           > A8 8E 38 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B89F395980, 16 bytes long.
 Data: < &#142;8&#159;&#184;           > 80 8E 38 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B89F395C00, 16 bytes long.
 Data: <X&#142;8&#159;&#184;           > 58 8E 38 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B89F3901C0, 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 0x000001B89F3963D0, 16 bytes long.
 Data: <0&#142;8&#159;&#184;           > 30 8E 38 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B89F388E30, 320 bytes long.
 Data: <&#208;c9&#159;&#184;   &#192; 9&#159;&#184;   > D0 63 39 9F B8 01 00 00 C0 01 39 9F B8 01 00 00 
{273} normal block at 0x000001B89F396380, 16 bytes long.
 Data: < U9&#159;&#184;           > 20 55 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B89F396470, 16 bytes long.
 Data: <&#248;T9&#159;&#184;           > F8 54 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B89F3900A0, 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 0x000001B89F396010, 16 bytes long.
 Data: <&#208;T9&#159;&#184;           > D0 54 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B89F38FB00, 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 0x000001B89F395A20, 16 bytes long.
 Data: < T9&#159;&#184;           > 18 54 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B89F395F20, 16 bytes long.
 Data: <&#240;S9&#159;&#184;           > F0 53 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B89F395CF0, 16 bytes long.
 Data: <&#200;S9&#159;&#184;           > C8 53 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B89F395750, 16 bytes long.
 Data: <&#160;S9&#159;&#184;           > A0 53 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B89F395930, 16 bytes long.
 Data: <xS9&#159;&#184;           > 78 53 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B89F38EA00, 16 bytes long.
 Data: <PS9&#159;&#184;           > 50 53 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B89F38E7D0, 16 bytes long.
 Data: < K9&#159;&#184;           > 90 4B 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B89F394B90, 40 bytes long.
 Data: <&#208;&#231;8&#159;&#184;   0&#163; &#161;&#184;   > D0 E7 38 9F B8 01 00 00 30 A3 0A A1 B8 01 00 00 
{259} normal block at 0x000001B89F38E730, 16 bytes long.
 Data: <0S9&#159;&#184;           > 30 53 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B89F38E690, 16 bytes long.
 Data: < S9&#159;&#184;           > 08 53 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B89F38FBC0, 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 0x000001B89F38EC80, 16 bytes long.
 Data: <&#224;R9&#159;&#184;           > E0 52 39 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B89F3952E0, 992 bytes long.
 Data: < &#236;8&#159;&#184;   &#192;&#251;8&#159;&#184;   > 80 EC 38 9F B8 01 00 00 C0 FB 38 9F B8 01 00 00 
{91} normal block at 0x000001B89F38FC80, 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 0x000001B89F38EF00, 16 bytes long.
 Data: <0&#238;7&#159;&#184;           > 30 EE 37 9F B8 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001B89F37EE30, 40 bytes long.
 Data: < &#239;8&#159;&#184;    &#252;8&#159;&#184;   > 00 EF 38 9F B8 01 00 00 80 FC 38 9F B8 01 00 00 
{68} normal block at 0x000001B89F38EAA0, 16 bytes long.
 Data: < &#234; &#133;&#247;           > 80 EA 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B89F38F400, 16 bytes long.
 Data: <@&#233; &#133;&#247;           > 40 E9 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B89F38EDC0, 16 bytes long.
 Data: <&#248;W&#255;&#132;&#247;           > F8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B89F38EB40, 16 bytes long.
 Data: <&#216;W&#255;&#132;&#247;           > D8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B89F38E8C0, 16 bytes long.
 Data: <P &#255;&#132;&#247;           > 50 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B89F38EA50, 16 bytes long.
 Data: <0 &#255;&#132;&#247;           > 30 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B89F38F1D0, 16 bytes long.
 Data: <&#224; &#255;&#132;&#247;           > E0 02 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B89F38F2C0, 16 bytes long.
 Data: <  &#255;&#132;&#247;           > 10 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B89F38EBE0, 16 bytes long.
 Data: <p &#255;&#132;&#247;           > 70 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B89F38F180, 16 bytes long.
 Data: < &#192;&#253;&#132;&#247;           > 18 C0 FD 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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