Task 38689030

Name test_888-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3442_0
Workunit 31630313
Created 28 Oct 2026, 17:49:43 UTC
Sent 28 Oct 2026, 17:49:46 UTC
Report deadline 2 Nov 2026, 17:49:46 UTC
Received 28 Oct 2026, 18:51:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 19 min 8 sec
CPU time 18 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.25 MB
Peak swap size 9.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:33:02 (50720): wrapper (7.9.26016): starting
13:33:02 (50720): 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
13:33:03 (50720): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:33:03 (50720): 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
13:51:23 (50720): C:/Windows/system32/cmd.exe exited; CPU time 1091.359375
13:51:23 (50720): 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: 27870911 bytes.
Dumping objects ->
{3835236} normal block at 0x0000029B9ABB0DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000029B9ABB0840, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000029B9ABB0AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000029B9ABB1480, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000029B9ABB0920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000029B9ACA8C30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000029B9ACBF870, 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) : {3835147} normal block at 0x0000029B9900DBA0, 8 bytes long.
 Data: <  &#253; &#155;   > 00 00 FD 98 9B 02 00 00 
{3834547} normal block at 0x0000029B9ACBF240, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000029B9900DCE0, 8 bytes long.
 Data: <&#208;&#228;  &#155;   > D0 E4 0E 99 9B 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000029B99012610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000029B98FFFAA0, 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 0x0000029B99016490, 16 bytes long.
 Data: < n  &#155;           > 18 6E 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000029B990163A0, 16 bytes long.
 Data: <&#240;m  &#155;           > F0 6D 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029B9900FD10, 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 0x0000029B99015DB0, 16 bytes long.
 Data: <&#200;m  &#155;           > C8 6D 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029B99016300, 16 bytes long.
 Data: <&#160;m  &#155;           > A0 6D 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029B99016760, 16 bytes long.
 Data: <xm  &#155;           > 78 6D 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029B99015D60, 16 bytes long.
 Data: <Pm  &#155;           > 50 6D 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029B99010970, 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 0x0000029B990167B0, 16 bytes long.
 Data: <h&#242;  &#155;           > 68 F2 00 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029B9900F7D0, 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 0x0000029B99015FE0, 16 bytes long.
 Data: <@&#242;  &#155;           > 40 F2 00 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029B990166C0, 16 bytes long.
 Data: < &#242;  &#155;           > 18 F2 00 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029B990168A0, 16 bytes long.
 Data: <&#240;&#241;  &#155;           > F0 F1 00 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029B99016210, 16 bytes long.
 Data: <&#200;&#241;  &#155;           > C8 F1 00 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029B990161C0, 16 bytes long.
 Data: <&#160;&#241;  &#155;           > A0 F1 00 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029B99016170, 16 bytes long.
 Data: <x&#241;  &#155;           > 78 F1 00 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029B9900FE30, 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 0x0000029B99016440, 16 bytes long.
 Data: <P&#241;  &#155;           > 50 F1 00 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029B9900F150, 320 bytes long.
 Data: <@d  &#155;   0&#254;  &#155;   > 40 64 01 99 9B 02 00 00 30 FE 00 99 9B 02 00 00 
{280} normal block at 0x0000029B99015F90, 16 bytes long.
 Data: <0m  &#155;           > 30 6D 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029B99016670, 16 bytes long.
 Data: < m  &#155;           > 08 6D 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029B9900F590, 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 0x0000029B99016620, 16 bytes long.
 Data: <&#224;l  &#155;           > E0 6C 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029B9900FC50, 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 0x0000029B990162B0, 16 bytes long.
 Data: <(l  &#155;           > 28 6C 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029B99016120, 16 bytes long.
 Data: < l  &#155;           > 00 6C 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029B99015CC0, 16 bytes long.
 Data: <&#216;k  &#155;           > D8 6B 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029B99015F40, 16 bytes long.
 Data: <&#176;k  &#155;           > B0 6B 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029B99016850, 16 bytes long.
 Data: < k  &#155;           > 88 6B 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029B99016030, 16 bytes long.
 Data: <`k  &#155;           > 60 6B 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029B99016260, 16 bytes long.
 Data: <@   &#155;           > 40 07 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029B99010740, 40 bytes long.
 Data: <`b  &#155;   0&#140;&#202;&#154;&#155;   > 60 62 01 99 9B 02 00 00 30 8C CA 9A 9B 02 00 00 
{266} normal block at 0x0000029B99016940, 16 bytes long.
 Data: <@k  &#155;           > 40 6B 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029B990168F0, 16 bytes long.
 Data: < k  &#155;           > 18 6B 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029B9900F4D0, 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 0x0000029B99016350, 16 bytes long.
 Data: <&#240;j  &#155;           > F0 6A 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029B99016AF0, 992 bytes long.
 Data: <Pc  &#155;   &#208;&#244;  &#155;   > 50 63 01 99 9B 02 00 00 D0 F4 00 99 9B 02 00 00 
{98} normal block at 0x0000029B9900FCB0, 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 0x0000029B9900E320, 16 bytes long.
 Data: <    &#155;           > 20 08 01 99 9B 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000029B99010820, 40 bytes long.
 Data: < &#227;  &#155;   &#176;&#252;  &#155;   > 20 E3 00 99 9B 02 00 00 B0 FC 00 99 9B 02 00 00 
{75} normal block at 0x0000029B9900D510, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000029B9900E3C0, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000029B9900E370, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000029B9900DEC0, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000029B9900D6A0, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029B9900D790, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029B9900D8D0, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029B9900E0F0, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029B9900DB00, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029B9900D7E0, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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