Task 38682572

Name test_933-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND3941_0
Workunit 31624176
Created 27 Oct 2026, 8:15:39 UTC
Sent 27 Oct 2026, 8:15:44 UTC
Report deadline 1 Nov 2026, 8:15:44 UTC
Received 27 Oct 2026, 8:46:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523908
Run time 30 min 7 sec
CPU time 28 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.07 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
09:16:40 (19048): wrapper (7.9.26016): starting
09:16:40 (19048): 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
09:16:41 (19048): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:16:41 (19048): 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\3\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\3\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
09:46:01 (19048): C:/Windows/system32/cmd.exe exited; CPU time 1707.093750
09:46:01 (19048): 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: 22991671 bytes.
Dumping objects ->
{3835235} normal block at 0x000002044270C420, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000002044270C570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000002044270C7A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000002044270C490, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000020440994930, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x0000020442755C00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000002044276E460, 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) : {3835146} normal block at 0x000002044098F2F0, 8 bytes long.
 Data: <   A    > 00 00 02 41 04 02 00 00 
{3834542} normal block at 0x000002044276EB40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002044098F390, 8 bytes long.
 Data: < F{B    > 10 46 7B 42 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020440990E10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002044097EEB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000020440995B70, 16 bytes long.
 Data: <&#168;d @            > A8 64 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020440995C60, 16 bytes long.
 Data: < d @            > 80 64 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000204409903A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000020440995C10, 16 bytes long.
 Data: <Xd @            > 58 64 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000204409953A0, 16 bytes long.
 Data: <0d @            > 30 64 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020440995350, 16 bytes long.
 Data: < d @            > 08 64 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000204409952B0, 16 bytes long.
 Data: <&#224;c @            > E0 63 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020440994A80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000020440995AD0, 16 bytes long.
 Data: < &#229; @            > 98 E5 98 40 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020440990400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000204409956C0, 16 bytes long.
 Data: <p&#229; @            > 70 E5 98 40 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020440995300, 16 bytes long.
 Data: <H&#229; @            > 48 E5 98 40 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020440996070, 16 bytes long.
 Data: < &#229; @            > 20 E5 98 40 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020440995A80, 16 bytes long.
 Data: <&#248;&#228; @            > F8 E4 98 40 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020440995530, 16 bytes long.
 Data: <&#208;&#228; @            > D0 E4 98 40 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020440995E40, 16 bytes long.
 Data: <&#168;&#228; @            > A8 E4 98 40 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002044098FF80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000204409959E0, 16 bytes long.
 Data: < &#228; @            > 80 E4 98 40 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002044098E480, 320 bytes long.
 Data: <&#224;Y @     &#255; @    > E0 59 99 40 04 02 00 00 80 FF 98 40 04 02 00 00 
{276} normal block at 0x00000204409954E0, 16 bytes long.
 Data: <&#192;c @            > C0 63 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020440995D50, 16 bytes long.
 Data: < c @            > 98 63 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002044098FC80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000020440995DF0, 16 bytes long.
 Data: <pc @            > 70 63 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002044098FE60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000020440995490, 16 bytes long.
 Data: <&#184;b @            > B8 62 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020440995940, 16 bytes long.
 Data: < b @            > 90 62 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020440995620, 16 bytes long.
 Data: <hb @            > 68 62 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020440995990, 16 bytes long.
 Data: <@b @            > 40 62 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020440995B20, 16 bytes long.
 Data: < b @            > 18 62 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020440995440, 16 bytes long.
 Data: <&#240;a @            > F0 61 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000204409960C0, 16 bytes long.
 Data: < J @            > 10 4A 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020440994A10, 40 bytes long.
 Data: <&#192;` @     \uB    > C0 60 99 40 04 02 00 00 00 5C 75 42 04 02 00 00 
{262} normal block at 0x00000204409958A0, 16 bytes long.
 Data: <&#208;a @            > D0 61 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020440995260, 16 bytes long.
 Data: <&#168;a @            > A8 61 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002044098FC20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000020440995A30, 16 bytes long.
 Data: < a @            > 80 61 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020440996180, 992 bytes long.
 Data: <0Z @     &#252; @    > 30 5A 99 40 04 02 00 00 20 FC 98 40 04 02 00 00 
{94} normal block at 0x000002044098F7A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002044098EB70, 16 bytes long.
 Data: <&#176;E @            > B0 45 99 40 04 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000204409945B0, 40 bytes long.
 Data: <p&#235; @    &#160;&#247; @    > 70 EB 98 40 04 02 00 00 A0 F7 98 40 04 02 00 00 
{71} normal block at 0x000002044098EC10, 16 bytes long.
 Data: < &#234;&#204; &#247;           > 80 EA CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002044098E7B0, 16 bytes long.
 Data: <@&#233;&#204; &#247;           > 40 E9 CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002044098EDA0, 16 bytes long.
 Data: <&#248;W&#201; &#247;           > F8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002044098EAD0, 16 bytes long.
 Data: <&#216;W&#201; &#247;           > D8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002044098E6C0, 16 bytes long.
 Data: <P &#201; &#247;           > 50 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002044098F200, 16 bytes long.
 Data: <0 &#201; &#247;           > 30 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002044098F160, 16 bytes long.
 Data: <&#224; &#201; &#247;           > E0 02 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002044098EBC0, 16 bytes long.
 Data: <  &#201; &#247;           > 10 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002044098F2A0, 16 bytes long.
 Data: <p &#201; &#247;           > 70 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002044098EE90, 16 bytes long.
 Data: < &#192;&#199; &#247;           > 18 C0 C7 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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