Task 38684266

Name test_892-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND4337_0
Workunit 31625786
Created 27 Oct 2026, 15:30:27 UTC
Sent 27 Oct 2026, 15:30:30 UTC
Report deadline 1 Nov 2026, 15:30:30 UTC
Received 27 Oct 2026, 15:51:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 20 min 9 sec
CPU time 18 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.86 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:31:26 (14168): wrapper (7.9.26016): starting
15:31:26 (14168): 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
15:31:27 (14168): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:31:27 (14168): 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\13\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\13\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
15:50:49 (14168): C:/Windows/system32/cmd.exe exited; CPU time 1115.390625
15:50:49 (14168): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 18889045 bytes.
Dumping objects ->
{3835253} normal block at 0x0000024BFBF8D490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000024BFA3A5000, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000024BFA3A4F90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000024BFA3A4F20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000024BFA3A4E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000024BFBFDA7D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835165} normal block at 0x0000024BFA3A07F0, 8 bytes long.
 Data: <  3&#250;K   > 00 00 33 FA 4B 02 00 00 
{3833961} normal block at 0x0000024BFA3A0430, 8 bytes long.
 Data: <&#160;< &#252;K   > A0 3C 03 FC 4B 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024BFA3A13F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024BFA396C40, 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 0x0000024BFA3A6890, 16 bytes long.
 Data: <8Y:&#250;K           > 38 59 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024BFA3A5A80, 16 bytes long.
 Data: < Y:&#250;K           > 10 59 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024BFA39FA10, 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 0x0000024BFA3A60C0, 16 bytes long.
 Data: <&#232;X:&#250;K           > E8 58 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024BFA3A62F0, 16 bytes long.
 Data: <&#192;X:&#250;K           > C0 58 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024BFA3A6430, 16 bytes long.
 Data: < X:&#250;K           > 98 58 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024BFA3A5E90, 16 bytes long.
 Data: <pX:&#250;K           > 70 58 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024BFA3A4B30, 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 0x0000024BFA3A68E0, 16 bytes long.
 Data: < &#232;9&#250;K           > 88 E8 39 FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024BFA39F7D0, 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 0x0000024BFA3A5BC0, 16 bytes long.
 Data: <`&#232;9&#250;K           > 60 E8 39 FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024BFA3A62A0, 16 bytes long.
 Data: <8&#232;9&#250;K           > 38 E8 39 FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024BFA3A5F80, 16 bytes long.
 Data: < &#232;9&#250;K           > 10 E8 39 FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024BFA3A6750, 16 bytes long.
 Data: <&#232;&#231;9&#250;K           > E8 E7 39 FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024BFA3A6520, 16 bytes long.
 Data: <&#192;&#231;9&#250;K           > C0 E7 39 FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024BFA3A5D00, 16 bytes long.
 Data: < &#231;9&#250;K           > 98 E7 39 FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024BFA39F230, 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 0x0000024BFA3A6610, 16 bytes long.
 Data: <p&#231;9&#250;K           > 70 E7 39 FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024BFA39E770, 320 bytes long.
 Data: < f:&#250;K   0&#242;9&#250;K   > 10 66 3A FA 4B 02 00 00 30 F2 39 FA 4B 02 00 00 
{276} normal block at 0x0000024BFA3A65C0, 16 bytes long.
 Data: <PX:&#250;K           > 50 58 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024BFA3A6250, 16 bytes long.
 Data: <(X:&#250;K           > 28 58 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024BFA39F650, 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 0x0000024BFA3A6020, 16 bytes long.
 Data: < X:&#250;K           > 00 58 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024BFA39F950, 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 0x0000024BFA3A5F30, 16 bytes long.
 Data: <HW:&#250;K           > 48 57 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024BFA3A5EE0, 16 bytes long.
 Data: < W:&#250;K           > 20 57 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024BFA3A64D0, 16 bytes long.
 Data: <&#248;V:&#250;K           > F8 56 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024BFA3A6390, 16 bytes long.
 Data: <&#208;V:&#250;K           > D0 56 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024BFA3A0570, 16 bytes long.
 Data: <&#168;V:&#250;K           > A8 56 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024BFA3A03E0, 16 bytes long.
 Data: < V:&#250;K           > 80 56 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024BFA3A0480, 16 bytes long.
 Data: <&#192;J:&#250;K           > C0 4A 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024BFA3A4AC0, 40 bytes long.
 Data: <  :&#250;K   &#208;&#167;&#253;&#251;K   > 80 04 3A FA 4B 02 00 00 D0 A7 FD FB 4B 02 00 00 
{262} normal block at 0x0000024BFA3A07A0, 16 bytes long.
 Data: <`V:&#250;K           > 60 56 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024BFA3A0160, 16 bytes long.
 Data: <8V:&#250;K           > 38 56 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024BFA39F1D0, 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 0x0000024BFA39FDA0, 16 bytes long.
 Data: < V:&#250;K           > 10 56 3A FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024BFA3A5610, 992 bytes long.
 Data: <&#160;&#253;9&#250;K   &#208;&#241;9&#250;K   > A0 FD 39 FA 4B 02 00 00 D0 F1 39 FA 4B 02 00 00 
{94} normal block at 0x0000024BFA39ED50, 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 0x0000024BFA39FC10, 16 bytes long.
 Data: < &#241;8&#250;K           > 10 F1 38 FA 4B 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024BFA38F110, 40 bytes long.
 Data: < &#252;9&#250;K   P&#237;9&#250;K   > 10 FC 39 FA 4B 02 00 00 50 ED 39 FA 4B 02 00 00 
{71} normal block at 0x0000024BFA3A0930, 16 bytes long.
 Data: < &#234; p&#247;           > 80 EA 08 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024BFA3A0520, 16 bytes long.
 Data: <@&#233; p&#247;           > 40 E9 08 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024BFA39FDF0, 16 bytes long.
 Data: <&#248;W p&#247;           > F8 57 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024BFA3A0700, 16 bytes long.
 Data: <&#216;W p&#247;           > D8 57 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024BFA3A0980, 16 bytes long.
 Data: <P  p&#247;           > 50 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024BFA3A0890, 16 bytes long.
 Data: <0  p&#247;           > 30 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024BFA3A08E0, 16 bytes long.
 Data: <&#224;  p&#247;           > E0 02 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024BFA39FE90, 16 bytes long.
 Data: <   p&#247;           > 10 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024BFA3A0250, 16 bytes long.
 Data: <p  p&#247;           > 70 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024BFA3A09D0, 16 bytes long.
 Data: < &#192; p&#247;           > 18 C0 03 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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