Task 38685350

Name test_506-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4928_0
Workunit 31626820
Created 27 Oct 2026, 20:38:08 UTC
Sent 27 Oct 2026, 20:38:13 UTC
Report deadline 1 Nov 2026, 20:38:13 UTC
Received 28 Oct 2026, 0:17:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652341
Run time 57 min 12 sec
CPU time 36 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.32 MB
Peak swap size 2.36 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:21:30 (8688): wrapper (7.9.26016): starting
00:21:30 (8688): 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
00:21:32 (8688): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:21:32 (8688): 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
01:16:46 (8688): C:/Windows/system32/cmd.exe exited; CPU time 2201.203125
01:16:46 (8688): 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: 34701563 bytes.
Dumping objects ->
{3835268} normal block at 0x000001B6D0F851A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x000001B6D0F85130, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001B6D0F850C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x000001B6D0F85050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001B6D0F84E20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x000001B6D2AD3E80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001B6D2AEE2E0, 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) : {3835178} normal block at 0x000001B6D0F7EAE0, 8 bytes long.
 Data: <  &#243;&#208;&#182;   > 00 00 F3 D0 B6 01 00 00 
{3834558} normal block at 0x000001B6D2AEE7B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001B6D0F7E630, 8 bytes long.
 Data: < &#234;&#158;&#210;&#182;   > 90 EA 9E D2 B6 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001B6D0F81050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B6D0F76150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001B6D0F85FB0, 16 bytes long.
 Data: <&#232;h&#248;&#208;&#182;           > E8 68 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B6D0F85F10, 16 bytes long.
 Data: <&#192;h&#248;&#208;&#182;           > C0 68 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B6D0F7F600, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001B6D0F85E20, 16 bytes long.
 Data: < h&#248;&#208;&#182;           > 98 68 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B6D0F85740, 16 bytes long.
 Data: <ph&#248;&#208;&#182;           > 70 68 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B6D0F86050, 16 bytes long.
 Data: <Hh&#248;&#208;&#182;           > 48 68 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B6D0F86550, 16 bytes long.
 Data: < h&#248;&#208;&#182;           > 20 68 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B6D0F84F70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001B6D0F86280, 16 bytes long.
 Data: <&#168;I&#248;&#208;&#182;           > A8 49 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B6D0F7F780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001B6D0F85D80, 16 bytes long.
 Data: < I&#248;&#208;&#182;           > 80 49 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B6D0F86460, 16 bytes long.
 Data: <XI&#248;&#208;&#182;           > 58 49 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B6D0F85F60, 16 bytes long.
 Data: <0I&#248;&#208;&#182;           > 30 49 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B6D0F85CE0, 16 bytes long.
 Data: < I&#248;&#208;&#182;           > 08 49 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B6D0F858D0, 16 bytes long.
 Data: <&#224;H&#248;&#208;&#182;           > E0 48 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B6D0F85C90, 16 bytes long.
 Data: <&#184;H&#248;&#208;&#182;           > B8 48 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B6D0F7FA20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001B6D0F85DD0, 16 bytes long.
 Data: < H&#248;&#208;&#182;           > 90 48 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B6D0F84890, 320 bytes long.
 Data: <&#208;]&#248;&#208;&#182;    &#250;&#247;&#208;&#182;   > D0 5D F8 D0 B6 01 00 00 20 FA F7 D0 B6 01 00 00 
{272} normal block at 0x000001B6D0F856A0, 16 bytes long.
 Data: < h&#248;&#208;&#182;           > 00 68 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B6D0F85C40, 16 bytes long.
 Data: <&#216;g&#248;&#208;&#182;           > D8 67 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B6D0F7FC60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001B6D0F85BF0, 16 bytes long.
 Data: <&#176;g&#248;&#208;&#182;           > B0 67 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B6D0F7F960, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001B6D0F860A0, 16 bytes long.
 Data: <&#248;f&#248;&#208;&#182;           > F8 66 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B6D0F85D30, 16 bytes long.
 Data: <&#208;f&#248;&#208;&#182;           > D0 66 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B6D0F85BA0, 16 bytes long.
 Data: <&#168;f&#248;&#208;&#182;           > A8 66 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B6D0F86190, 16 bytes long.
 Data: < f&#248;&#208;&#182;           > 80 66 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B6D0F863C0, 16 bytes long.
 Data: <Xf&#248;&#208;&#182;           > 58 66 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B6D0F85B50, 16 bytes long.
 Data: <0f&#248;&#208;&#182;           > 30 66 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B6D0F85AB0, 16 bytes long.
 Data: <&#240;K&#248;&#208;&#182;           > F0 4B F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B6D0F84BF0, 40 bytes long.
 Data: <&#176;Z&#248;&#208;&#182;    >&#173;&#210;&#182;   > B0 5A F8 D0 B6 01 00 00 80 3E AD D2 B6 01 00 00 
{258} normal block at 0x000001B6D0F85A60, 16 bytes long.
 Data: < f&#248;&#208;&#182;           > 10 66 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B6D0F85920, 16 bytes long.
 Data: <&#232;e&#248;&#208;&#182;           > E8 65 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B6D0F7FF60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001B6D0F85B00, 16 bytes long.
 Data: <&#192;e&#248;&#208;&#182;           > C0 65 F8 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B6D0F865C0, 992 bytes long.
 Data: < [&#248;&#208;&#182;   `&#255;&#247;&#208;&#182;   > 00 5B F8 D0 B6 01 00 00 60 FF F7 D0 B6 01 00 00 
{90} normal block at 0x000001B6D0F80260, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001B6D0F7E590, 16 bytes long.
 Data: < &#208;&#246;&#208;&#182;           > 90 D0 F6 D0 B6 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001B6D0F6D090, 40 bytes long.
 Data: < &#229;&#247;&#208;&#182;   ` &#248;&#208;&#182;   > 90 E5 F7 D0 B6 01 00 00 60 02 F8 D0 B6 01 00 00 
{67} normal block at 0x000001B6D0F7E4A0, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 04 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B6D0F7E860, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 04 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B6D0F7E5E0, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B6D0F7F210, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B6D0F7F260, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B6D0F7F0D0, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B6D0F7EB30, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B6D0F7E450, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B6D0F7EBD0, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B6D0F7F1C0, 16 bytes long.
 Data: < &#192;&#255;&#155;&#247;           > 18 C0 FF 9B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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