Task 38686568

Name test_631-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND0730_0
Workunit 31627998
Created 28 Oct 2026, 3:15:07 UTC
Sent 28 Oct 2026, 3:15:13 UTC
Report deadline 2 Nov 2026, 3:15:13 UTC
Received 28 Oct 2026, 4:37:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 20 min 27 sec
CPU time 19 min 25 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 744.79 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:17:42 (2764): wrapper (7.9.26016): starting
23:17:42 (2764): 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
23:17:43 (2764): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:17:43 (2764): 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
23:37:20 (2764): C:/Windows/system32/cmd.exe exited; CPU time 1165.375000
23:37:20 (2764): 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: 29961547 bytes.
Dumping objects ->
{3835236} normal block at 0x00000242729691F0, 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 0x0000024272968EE0, 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 0x0000024272969340, 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 0x0000024272969570, 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 0x0000024272969650, 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 0x000002427473DC90, 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 0x0000024274792A30, 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 0x000002427293F6A0, 8 bytes long.
 Data: <  &#140;rB   > 00 00 8C 72 42 02 00 00 
{3834547} normal block at 0x00000242747933D0, 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 0x000002427293F3D0, 8 bytes long.
 Data: <  ltB   > 20 19 6C 74 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000024272942360, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000024272933340, 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 0x0000024272946380, 16 bytes long.
 Data: < i&#148;rB           > 98 69 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024272946010, 16 bytes long.
 Data: <pi&#148;rB           > 70 69 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002427293D540, 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 0x0000024272946240, 16 bytes long.
 Data: <Hi&#148;rB           > 48 69 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024272946420, 16 bytes long.
 Data: < i&#148;rB           > 20 69 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024272946290, 16 bytes long.
 Data: <&#248;h&#148;rB           > F8 68 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024272945CA0, 16 bytes long.
 Data: <&#208;h&#148;rB           > D0 68 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002427293FF00, 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 0x0000024272945AC0, 16 bytes long.
 Data: <&#232; &#147;rB           > E8 8D 93 72 42 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002427293D2A0, 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 0x0000024272945FC0, 16 bytes long.
 Data: <&#192; &#147;rB           > C0 8D 93 72 42 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000242729461F0, 16 bytes long.
 Data: <  &#147;rB           > 98 8D 93 72 42 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024272945F20, 16 bytes long.
 Data: <p &#147;rB           > 70 8D 93 72 42 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024272945B10, 16 bytes long.
 Data: <H &#147;rB           > 48 8D 93 72 42 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000242729461A0, 16 bytes long.
 Data: <  &#147;rB           > 20 8D 93 72 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024272946560, 16 bytes long.
 Data: <&#248;&#140;&#147;rB           > F8 8C 93 72 42 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002427293D120, 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 0x0000024272946060, 16 bytes long.
 Data: <&#208;&#140;&#147;rB           > D0 8C 93 72 42 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024272938CD0, 320 bytes long.
 Data: <``&#148;rB    &#209;&#147;rB   > 60 60 94 72 42 02 00 00 20 D1 93 72 42 02 00 00 
{280} normal block at 0x0000024272946150, 16 bytes long.
 Data: <&#176;h&#148;rB           > B0 68 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000242729456B0, 16 bytes long.
 Data: < h&#148;rB           > 88 68 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002427293D240, 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 0x0000024272946510, 16 bytes long.
 Data: <`h&#148;rB           > 60 68 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002427293CFA0, 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 0x0000024272945C50, 16 bytes long.
 Data: <&#168;g&#148;rB           > A8 67 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000242729464C0, 16 bytes long.
 Data: < g&#148;rB           > 80 67 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024272946100, 16 bytes long.
 Data: <Xg&#148;rB           > 58 67 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024272945E80, 16 bytes long.
 Data: <0g&#148;rB           > 30 67 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024272945E30, 16 bytes long.
 Data: < g&#148;rB           > 08 67 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000242729462E0, 16 bytes long.
 Data: <&#224;f&#148;rB           > E0 66 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000242729460B0, 16 bytes long.
 Data: < &#254;&#147;rB           > 90 FE 93 72 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002427293FE90, 40 bytes long.
 Data: <&#176;`&#148;rB    &#220;stB   > B0 60 94 72 42 02 00 00 90 DC 73 74 42 02 00 00 
{266} normal block at 0x0000024272945A70, 16 bytes long.
 Data: <&#192;f&#148;rB           > C0 66 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024272945ED0, 16 bytes long.
 Data: < f&#148;rB           > 98 66 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002427293D480, 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 0x0000024272946330, 16 bytes long.
 Data: <pf&#148;rB           > 70 66 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024272946670, 992 bytes long.
 Data: <0c&#148;rB    &#212;&#147;rB   > 30 63 94 72 42 02 00 00 80 D4 93 72 42 02 00 00 
{98} normal block at 0x000002427293D420, 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 0x000002427293FA60, 16 bytes long.
 Data: <&#160; &#148;rB           > A0 01 94 72 42 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000242729401A0, 40 bytes long.
 Data: <`&#250;&#147;rB    &#212;&#147;rB   > 60 FA 93 72 42 02 00 00 20 D4 93 72 42 02 00 00 
{75} normal block at 0x000002427293F1F0, 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 0x000002427293F9C0, 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 0x000002427293FD80, 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 0x000002427293FA10, 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 0x000002427293F100, 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 0x000002427293F740, 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 0x000002427293F560, 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 0x000002427293FDD0, 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 0x000002427293F8D0, 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 0x000002427293EF70, 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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