Task 38670839

Name test_770-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND7807_0
Workunit 31613066
Created 25 Oct 2026, 18:42:16 UTC
Sent 25 Oct 2026, 18:42:22 UTC
Report deadline 30 Oct 2026, 18:42:22 UTC
Received 25 Oct 2026, 20:22:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638552
Run time 1 hours 36 min 20 sec
CPU time 1 hours 34 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,047.12 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 768.63 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>
11:45:32 (15480): wrapper (7.9.26016): starting
11:45:32 (15480): 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
11:45:33 (15480): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:45:33 (15480): 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\25\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\25\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
13:22:28 (15480): C:/Windows/system32/cmd.exe exited; CPU time 5698.437500
13:22:28 (15480): 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: 108526809 bytes.
Dumping objects ->
{3835527} normal block at 0x000002882F3A4DE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835516} normal block at 0x000002882F3A51D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x000002882F3A5160, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835494} normal block at 0x000002882F3A4D00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000002882F3A5080, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835452} normal block at 0x0000028831198140, 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) : {3835439} normal block at 0x000002882F39E0F0, 8 bytes long.
 Data: <   /    > 00 00 90 2F 88 02 00 00 
{3833969} normal block at 0x000002882F39DC90, 8 bytes long.
 Data: < &#167;</    > 20 A7 3C 2F 88 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002882F3A1D00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002882F396EC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002882F3A6810, 16 bytes long.
 Data: <Hl:/            > 48 6C 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002882F3A5FF0, 16 bytes long.
 Data: < l:/            > 20 6C 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002882F39F650, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002882F3A5960, 16 bytes long.
 Data: <&#248;k:/            > F8 6B 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002882F3A5F50, 16 bytes long.
 Data: <&#208;k:/            > D0 6B 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002882F3A5D20, 16 bytes long.
 Data: <&#168;k:/            > A8 6B 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002882F3A5CD0, 16 bytes long.
 Data: < k:/            > 80 6B 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002882F3A4F30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002882F3A62C0, 16 bytes long.
 Data: <&#184;&#186;8/            > B8 BA 38 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002882F39F590, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002882F3A6630, 16 bytes long.
 Data: < &#186;8/            > 90 BA 38 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002882F3A5EB0, 16 bytes long.
 Data: <h&#186;8/            > 68 BA 38 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002882F3A5C80, 16 bytes long.
 Data: <@&#186;8/            > 40 BA 38 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002882F3A64A0, 16 bytes long.
 Data: < &#186;8/            > 18 BA 38 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002882F3A5E60, 16 bytes long.
 Data: <&#240;&#185;8/            > F0 B9 38 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002882F3A6130, 16 bytes long.
 Data: <&#200;&#185;8/            > C8 B9 38 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002882F39FC50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002882F3A5FA0, 16 bytes long.
 Data: <&#160;&#185;8/            > A0 B9 38 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002882F38B9A0, 320 bytes long.
 Data: <&#160;_:/    P&#252;9/    > A0 5F 3A 2F 88 02 00 00 50 FC 39 2F 88 02 00 00 
{280} normal block at 0x000002882F3A6220, 16 bytes long.
 Data: <`k:/            > 60 6B 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002882F3A6270, 16 bytes long.
 Data: <8k:/            > 38 6B 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002882F39FD70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002882F3A5A50, 16 bytes long.
 Data: < k:/            > 10 6B 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002882F3A0430, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002882F3A6770, 16 bytes long.
 Data: <Xj:/            > 58 6A 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002882F3A60E0, 16 bytes long.
 Data: <0j:/            > 30 6A 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002882F3A5DC0, 16 bytes long.
 Data: < j:/            > 08 6A 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002882F3A5E10, 16 bytes long.
 Data: <&#224;i:/            > E0 69 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002882F3A6180, 16 bytes long.
 Data: <&#184;i:/            > B8 69 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002882F3A6720, 16 bytes long.
 Data: < i:/            > 90 69 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002882F3A5BE0, 16 bytes long.
 Data: <&#192;N:/            > C0 4E 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002882F3A4EC0, 40 bytes long.
 Data: <&#224;[:/    @  1    > E0 5B 3A 2F 88 02 00 00 40 81 19 31 88 02 00 00 
{266} normal block at 0x000002882F3A61D0, 16 bytes long.
 Data: <pi:/            > 70 69 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002882F3A5C30, 16 bytes long.
 Data: <Hi:/            > 48 69 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002882F39FBF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002882F3A5F00, 16 bytes long.
 Data: < i:/            > 20 69 3A 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002882F3A6920, 992 bytes long.
 Data: < _:/    &#240;&#251;9/    > 00 5F 3A 2F 88 02 00 00 F0 FB 39 2F 88 02 00 00 
{98} normal block at 0x000002882F3A0190, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002882F39D8D0, 16 bytes long.
 Data: <&#176;&#247;8/            > B0 F7 38 2F 88 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002882F38F7B0, 40 bytes long.
 Data: <&#208;&#216;9/      :/    > D0 D8 39 2F 88 02 00 00 90 01 3A 2F 88 02 00 00 
{75} normal block at 0x000002882F39DC40, 16 bytes long.
 Data: < &#234; "&#247;           > 80 EA 9D 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002882F39DCE0, 16 bytes long.
 Data: <@&#233; "&#247;           > 40 E9 9D 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002882F39E410, 16 bytes long.
 Data: <&#248;W&#154;"&#247;           > F8 57 9A 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002882F39D7E0, 16 bytes long.
 Data: <&#216;W&#154;"&#247;           > D8 57 9A 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002882F39E370, 16 bytes long.
 Data: <P &#154;"&#247;           > 50 04 9A 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002882F39DA10, 16 bytes long.
 Data: <0 &#154;"&#247;           > 30 04 9A 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002882F39E3C0, 16 bytes long.
 Data: <&#224; &#154;"&#247;           > E0 02 9A 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002882F39DEC0, 16 bytes long.
 Data: <  &#154;"&#247;           > 10 04 9A 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002882F39E000, 16 bytes long.
 Data: <p &#154;"&#247;           > 70 04 9A 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002882F39E460, 16 bytes long.
 Data: < &#192; "&#247;           > 18 C0 98 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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