Task 38658448

Name test_300-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND7153_1
Workunit 31601655
Created 24 Oct 2026, 12:41:43 UTC
Sent 24 Oct 2026, 12:49:21 UTC
Report deadline 29 Oct 2026, 12:49:21 UTC
Received 24 Oct 2026, 14:23:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654886
Run time 21 min 56 sec
CPU time 19 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.17 MB
Peak swap size 5.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:01:59 (10600): wrapper (7.9.26016): starting
15:01:59 (10600): 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
15:02:00 (10600): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:02:00 (10600): 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
15:22:59 (10600): C:/Windows/system32/cmd.exe exited; CPU time 1171.812500
15:22:59 (10600): 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: 18917191 bytes.
Dumping objects ->
{3835235} normal block at 0x0000020529E75110, 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 0x0000020529E74BD0, 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 0x0000020529E750A0, 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 0x0000020529E75030, 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 0x0000020529E74E00, 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 0x000002052B9E9980, 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 0x000002052B9FF2E0, 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 0x0000020529E6B340, 8 bytes long.
 Data: <   *    > 00 00 18 2A 05 02 00 00 
{3834547} normal block at 0x000002052B9FF020, 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 0x0000020529E6B0C0, 8 bytes long.
 Data: <&#160;&#229;&#244;)    > A0 E5 F4 29 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020529E71540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020529E661E0, 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 0x0000020529E761D0, 16 bytes long.
 Data: <xi&#231;)            > 78 69 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020529E765E0, 16 bytes long.
 Data: <Pi&#231;)            > 50 69 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020529E6EF00, 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 0x0000020529E75B40, 16 bytes long.
 Data: <(i&#231;)            > 28 69 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020529E76220, 16 bytes long.
 Data: < i&#231;)            > 00 69 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020529E76590, 16 bytes long.
 Data: <&#216;h&#231;)            > D8 68 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020529E76180, 16 bytes long.
 Data: <&#176;h&#231;)            > B0 68 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020529E74EE0, 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 0x0000020529E762C0, 16 bytes long.
 Data: < &#253;&#230;)            > 98 FD E6 29 05 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020529E6E540, 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 0x0000020529E75EB0, 16 bytes long.
 Data: <p&#253;&#230;)            > 70 FD E6 29 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020529E76040, 16 bytes long.
 Data: <H&#253;&#230;)            > 48 FD E6 29 05 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020529E756E0, 16 bytes long.
 Data: < &#253;&#230;)            > 20 FD E6 29 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020529E76540, 16 bytes long.
 Data: <&#248;&#252;&#230;)            > F8 FC E6 29 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020529E76450, 16 bytes long.
 Data: <&#208;&#252;&#230;)            > D0 FC E6 29 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020529E75690, 16 bytes long.
 Data: <&#168;&#252;&#230;)            > A8 FC E6 29 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020529E6E960, 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 0x0000020529E75780, 16 bytes long.
 Data: < &#252;&#230;)            > 80 FC E6 29 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020529E6FC80, 320 bytes long.
 Data: < W&#231;)    `&#233;&#230;)    > 80 57 E7 29 05 02 00 00 60 E9 E6 29 05 02 00 00 
{280} normal block at 0x0000020529E759B0, 16 bytes long.
 Data: < h&#231;)            > 90 68 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020529E75D70, 16 bytes long.
 Data: <hh&#231;)            > 68 68 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020529E6E5A0, 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 0x0000020529E75AF0, 16 bytes long.
 Data: <@h&#231;)            > 40 68 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020529E6E420, 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 0x0000020529E75C80, 16 bytes long.
 Data: < g&#231;)            > 88 67 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020529E757D0, 16 bytes long.
 Data: <`g&#231;)            > 60 67 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020529E76130, 16 bytes long.
 Data: <8g&#231;)            > 38 67 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020529E75C30, 16 bytes long.
 Data: < g&#231;)            > 10 67 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020529E75FF0, 16 bytes long.
 Data: <&#232;f&#231;)            > E8 66 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020529E75D20, 16 bytes long.
 Data: <&#192;f&#231;)            > C0 66 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020529E76360, 16 bytes long.
 Data: < M&#231;)            > 90 4D E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020529E74D90, 40 bytes long.
 Data: <`c&#231;)      &#158;+    > 60 63 E7 29 05 02 00 00 80 99 9E 2B 05 02 00 00 
{266} normal block at 0x0000020529E76400, 16 bytes long.
 Data: <&#160;f&#231;)            > A0 66 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020529E75960, 16 bytes long.
 Data: <xf&#231;)            > 78 66 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020529E6EB40, 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 0x0000020529E760E0, 16 bytes long.
 Data: <Pf&#231;)            > 50 66 E7 29 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020529E76650, 992 bytes long.
 Data: <&#224;`&#231;)    @&#235;&#230;)    > E0 60 E7 29 05 02 00 00 40 EB E6 29 05 02 00 00 
{98} normal block at 0x0000020529E6E9C0, 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 0x0000020529E6ACB0, 16 bytes long.
 Data: < &#196;&#229;)            > 90 C4 E5 29 05 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020529E5C490, 40 bytes long.
 Data: <&#176;&#172;&#230;)    &#192;&#233;&#230;)    > B0 AC E6 29 05 02 00 00 C0 E9 E6 29 05 02 00 00 
{75} normal block at 0x0000020529E6A8F0, 16 bytes long.
 Data: < &#234;&#195;i&#247;           > 80 EA C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020529E6AB20, 16 bytes long.
 Data: <@&#233;&#195;i&#247;           > 40 E9 C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020529E6AE90, 16 bytes long.
 Data: <&#248;W&#192;i&#247;           > F8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020529E6AA30, 16 bytes long.
 Data: <&#216;W&#192;i&#247;           > D8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020529E6AC60, 16 bytes long.
 Data: <P &#192;i&#247;           > 50 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020529E6A8A0, 16 bytes long.
 Data: <0 &#192;i&#247;           > 30 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020529E6ADF0, 16 bytes long.
 Data: <&#224; &#192;i&#247;           > E0 02 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020529E6A990, 16 bytes long.
 Data: <  &#192;i&#247;           > 10 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020529E6B250, 16 bytes long.
 Data: <p &#192;i&#247;           > 70 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020529E6ADA0, 16 bytes long.
 Data: < &#192;&#190;i&#247;           > 18 C0 BE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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