Task 38674156

Name test_295-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND6850_0
Workunit 31616202
Created 26 Oct 2026, 4:27:43 UTC
Sent 26 Oct 2026, 4:27:50 UTC
Report deadline 31 Oct 2026, 4:27:50 UTC
Received 26 Oct 2026, 5:12:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 22 min 18 sec
CPU time 18 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.07 MB
Peak swap size 8.62 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:51:12 (29956): wrapper (7.9.26016): starting
05:51:12 (29956): 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
05:51:13 (29956): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:51:13 (29956): 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
06:12:09 (29956): C:/Windows/system32/cmd.exe exited; CPU time 1105.812500
06:12:09 (29956): 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: 27776581 bytes.
Dumping objects ->
{3835219} normal block at 0x000002528600DCE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000002528600DF80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000002528600D730, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000002528600D8F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000252842D5130, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000025286058F80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000002528606EEC0, 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) : {3835130} normal block at 0x00000252842CD800, 8 bytes long.
 Data: <  (&#132;R   > 00 00 28 84 52 02 00 00 
{3834536} normal block at 0x000002528606EF70, 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 0x00000252842CE110, 8 bytes long.
 Data: <0I-&#132;R   > 30 49 2D 84 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000252842D2690, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000252842C67F0, 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 0x00000252842D6A50, 16 bytes long.
 Data: < p-&#132;R           > 18 70 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000252842D65F0, 16 bytes long.
 Data: <&#240;o-&#132;R           > F0 6F 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000252842CFA00, 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 0x00000252842D61E0, 16 bytes long.
 Data: <&#200;o-&#132;R           > C8 6F 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000252842D6870, 16 bytes long.
 Data: <&#160;o-&#132;R           > A0 6F 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000252842D5D80, 16 bytes long.
 Data: <xo-&#132;R           > 78 6F 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000252842D6140, 16 bytes long.
 Data: <Po-&#132;R           > 50 6F 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000252842D54B0, 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 0x00000252842D65A0, 16 bytes long.
 Data: <&#248; ,&#132;R           > F8 8D 2C 84 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000252842CFD60, 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 0x00000252842D6550, 16 bytes long.
 Data: <&#208; ,&#132;R           > D0 8D 2C 84 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000252842D64B0, 16 bytes long.
 Data: <&#168; ,&#132;R           > A8 8D 2C 84 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000252842D6280, 16 bytes long.
 Data: <  ,&#132;R           > 80 8D 2C 84 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000252842D63C0, 16 bytes long.
 Data: <X ,&#132;R           > 58 8D 2C 84 52 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000252842D6050, 16 bytes long.
 Data: <0 ,&#132;R           > 30 8D 2C 84 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000252842D6B40, 16 bytes long.
 Data: <  ,&#132;R           > 08 8D 2C 84 52 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000252842D0660, 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 0x00000252842D6B90, 16 bytes long.
 Data: <&#224;&#140;,&#132;R           > E0 8C 2C 84 52 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000252842C8CE0, 320 bytes long.
 Data: < k-&#132;R   ` -&#132;R   > 90 6B 2D 84 52 02 00 00 60 06 2D 84 52 02 00 00 
{276} normal block at 0x00000252842D69B0, 16 bytes long.
 Data: <0o-&#132;R           > 30 6F 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000252842D6460, 16 bytes long.
 Data: < o-&#132;R           > 08 6F 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000252842CF9A0, 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 0x00000252842D60A0, 16 bytes long.
 Data: <&#224;n-&#132;R           > E0 6E 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000252842D0300, 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 0x00000252842D5D30, 16 bytes long.
 Data: <(n-&#132;R           > 28 6E 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000252842D60F0, 16 bytes long.
 Data: < n-&#132;R           > 00 6E 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000252842D68C0, 16 bytes long.
 Data: <&#216;m-&#132;R           > D8 6D 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000252842D6500, 16 bytes long.
 Data: <&#176;m-&#132;R           > B0 6D 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000252842D6000, 16 bytes long.
 Data: < m-&#132;R           > 88 6D 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000252842D6410, 16 bytes long.
 Data: <`m-&#132;R           > 60 6D 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000252842D6320, 16 bytes long.
 Data: <&#160;Q-&#132;R           > A0 51 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000252842D51A0, 40 bytes long.
 Data: < c-&#132;R      &#134;R   > 20 63 2D 84 52 02 00 00 80 8F 05 86 52 02 00 00 
{262} normal block at 0x00000252842D62D0, 16 bytes long.
 Data: <@m-&#132;R           > 40 6D 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000252842D6190, 16 bytes long.
 Data: < m-&#132;R           > 18 6D 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000252842D0360, 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 0x00000252842D6780, 16 bytes long.
 Data: <&#240;l-&#132;R           > F0 6C 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000252842D6CF0, 992 bytes long.
 Data: < g-&#132;R   ` -&#132;R   > 80 67 2D 84 52 02 00 00 60 03 2D 84 52 02 00 00 
{94} normal block at 0x00000252842CFBE0, 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 0x00000252842CDF30, 16 bytes long.
 Data: < V-&#132;R           > 00 56 2D 84 52 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000252842D5600, 40 bytes long.
 Data: <0&#223;,&#132;R   &#224;&#251;,&#132;R   > 30 DF 2C 84 52 02 00 00 E0 FB 2C 84 52 02 00 00 
{71} normal block at 0x00000252842CDE90, 16 bytes long.
 Data: < &#234;&#232;&#246;&#247;           > 80 EA E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000252842CE610, 16 bytes long.
 Data: <@&#233;&#232;&#246;&#247;           > 40 E9 E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000252842CE250, 16 bytes long.
 Data: <&#248;W&#229;&#246;&#247;           > F8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000252842CE480, 16 bytes long.
 Data: <&#216;W&#229;&#246;&#247;           > D8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000252842CDFD0, 16 bytes long.
 Data: <P &#229;&#246;&#247;           > 50 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000252842CE340, 16 bytes long.
 Data: <0 &#229;&#246;&#247;           > 30 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000252842CDE40, 16 bytes long.
 Data: <&#224; &#229;&#246;&#247;           > E0 02 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000252842CDDF0, 16 bytes long.
 Data: <  &#229;&#246;&#247;           > 10 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000252842CDA80, 16 bytes long.
 Data: <p &#229;&#246;&#247;           > 70 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000252842CD7B0, 16 bytes long.
 Data: < &#192;&#227;&#246;&#247;           > 18 C0 E3 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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