Task 38683060

Name test_759-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5443_0
Workunit 31624641
Created 27 Oct 2026, 10:16:02 UTC
Sent 27 Oct 2026, 10:16:06 UTC
Report deadline 1 Nov 2026, 10:16:06 UTC
Received 27 Oct 2026, 10:57:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641350
Run time 30 min 1 sec
CPU time 28 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.91 MB
Peak swap size 5.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:28:01 (25456): wrapper (7.9.26016): starting
11:28:01 (25456): 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
11:28:02 (25456): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:28:02 (25456): 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
11:56:59 (25456): C:/Windows/system32/cmd.exe exited; CPU time 1691.390625
11:56:59 (25456): 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: 27134021 bytes.
Dumping objects ->
{3835240} normal block at 0x000001EAE68652F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001EAE6865360, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001EAE6865600, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000001EAE6865590, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001EAE6865520, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000001EAE8546380, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001EAE855F930, 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) : {3835151} normal block at 0x000001EAE685DDE0, 8 bytes long.
 Data: <  &#201;&#230;&#234;   > 00 00 C9 E6 EA 01 00 00 
{3834545} normal block at 0x000001EAE855FA90, 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 0x000001EAE685DD90, 8 bytes long.
 Data: <&#192;&#233;U&#232;&#234;   > C0 E9 55 E8 EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001EAE6862090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EAE6856510, 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 0x000001EAE6866A50, 16 bytes long.
 Data: < q&#134;&#230;&#234;           > 08 71 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EAE6866460, 16 bytes long.
 Data: <&#224;p&#134;&#230;&#234;           > E0 70 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EAE685FF60, 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 0x000001EAE6866550, 16 bytes long.
 Data: <&#184;p&#134;&#230;&#234;           > B8 70 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EAE6865E70, 16 bytes long.
 Data: < p&#134;&#230;&#234;           > 90 70 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EAE6866730, 16 bytes long.
 Data: <hp&#134;&#230;&#234;           > 68 70 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EAE6865E20, 16 bytes long.
 Data: <@p&#134;&#230;&#234;           > 40 70 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EAE6865280, 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 0x000001EAE6865F60, 16 bytes long.
 Data: <&#248;&#248;&#132;&#230;&#234;           > F8 F8 84 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EAE6860620, 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 0x000001EAE6866410, 16 bytes long.
 Data: <&#208;&#248;&#132;&#230;&#234;           > D0 F8 84 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EAE68660A0, 16 bytes long.
 Data: <&#168;&#248;&#132;&#230;&#234;           > A8 F8 84 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EAE68669B0, 16 bytes long.
 Data: < &#248;&#132;&#230;&#234;           > 80 F8 84 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EAE6866050, 16 bytes long.
 Data: <X&#248;&#132;&#230;&#234;           > 58 F8 84 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EAE6866780, 16 bytes long.
 Data: <0&#248;&#132;&#230;&#234;           > 30 F8 84 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EAE6866370, 16 bytes long.
 Data: < &#248;&#132;&#230;&#234;           > 08 F8 84 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EAE685FA80, 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 0x000001EAE68660F0, 16 bytes long.
 Data: <&#224;&#247;&#132;&#230;&#234;           > E0 F7 84 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EAE684F7E0, 320 bytes long.
 Data: <&#240;`&#134;&#230;&#234;    &#250;&#133;&#230;&#234;   > F0 60 86 E6 EA 01 00 00 80 FA 85 E6 EA 01 00 00 
{276} normal block at 0x000001EAE6866140, 16 bytes long.
 Data: < p&#134;&#230;&#234;           > 20 70 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EAE6866230, 16 bytes long.
 Data: <&#248;o&#134;&#230;&#234;           > F8 6F 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EAE685FC60, 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 0x000001EAE68663C0, 16 bytes long.
 Data: <&#208;o&#134;&#230;&#234;           > D0 6F 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EAE685F900, 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 0x000001EAE6866280, 16 bytes long.
 Data: < o&#134;&#230;&#234;           > 18 6F 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EAE68666E0, 16 bytes long.
 Data: <&#240;n&#134;&#230;&#234;           > F0 6E 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EAE6866960, 16 bytes long.
 Data: <&#200;n&#134;&#230;&#234;           > C8 6E 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EAE68668C0, 16 bytes long.
 Data: <&#160;n&#134;&#230;&#234;           > A0 6E 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EAE68667D0, 16 bytes long.
 Data: <xn&#134;&#230;&#234;           > 78 6E 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EAE6866640, 16 bytes long.
 Data: <Pn&#134;&#230;&#234;           > 50 6E 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EAE6866320, 16 bytes long.
 Data: <&#192;W&#134;&#230;&#234;           > C0 57 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EAE68657C0, 40 bytes long.
 Data: < c&#134;&#230;&#234;    cT&#232;&#234;   > 20 63 86 E6 EA 01 00 00 80 63 54 E8 EA 01 00 00 
{262} normal block at 0x000001EAE6866C30, 16 bytes long.
 Data: <0n&#134;&#230;&#234;           > 30 6E 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EAE68665A0, 16 bytes long.
 Data: < n&#134;&#230;&#234;           > 08 6E 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EAE6860380, 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 0x000001EAE6866500, 16 bytes long.
 Data: <&#224;m&#134;&#230;&#234;           > E0 6D 86 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EAE6866DE0, 992 bytes long.
 Data: < e&#134;&#230;&#234;     &#134;&#230;&#234;   > 00 65 86 E6 EA 01 00 00 80 03 86 E6 EA 01 00 00 
{94} normal block at 0x000001EAE685FCC0, 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 0x000001EAE685E240, 16 bytes long.
 Data: < &#200;&#132;&#230;&#234;           > 10 C8 84 E6 EA 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001EAE684C810, 40 bytes long.
 Data: <@&#226;&#133;&#230;&#234;   &#192;&#252;&#133;&#230;&#234;   > 40 E2 85 E6 EA 01 00 00 C0 FC 85 E6 EA 01 00 00 
{71} normal block at 0x000001EAE685E380, 16 bytes long.
 Data: < &#234;&#185; &#246;           > 80 EA B9 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EAE685DD40, 16 bytes long.
 Data: <@&#233;&#185; &#246;           > 40 E9 B9 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EAE685E2E0, 16 bytes long.
 Data: <&#248;W&#182; &#246;           > F8 57 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EAE685E470, 16 bytes long.
 Data: <&#216;W&#182; &#246;           > D8 57 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EAE685E560, 16 bytes long.
 Data: <P &#182; &#246;           > 50 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EAE685D980, 16 bytes long.
 Data: <0 &#182; &#246;           > 30 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EAE685DA20, 16 bytes long.
 Data: <&#224; &#182; &#246;           > E0 02 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EAE685E600, 16 bytes long.
 Data: <  &#182; &#246;           > 10 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EAE685E420, 16 bytes long.
 Data: <p &#182; &#246;           > 70 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EAE685DB60, 16 bytes long.
 Data: < &#192;&#180; &#246;           > 18 C0 B4 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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