Task 38665441

Name test_399-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND4608_0
Workunit 31608537
Created 25 Oct 2026, 1:06:16 UTC
Sent 25 Oct 2026, 1:07:31 UTC
Report deadline 30 Oct 2026, 1:07:31 UTC
Received 25 Oct 2026, 2:24:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 441672
Run time 1 hours 15 min 38 sec
CPU time 1 hours 13 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.57 MB
Peak swap size 6.71 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:08:52 (33364): wrapper (7.9.26016): starting
18:08:52 (33364): 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
18:08:54 (33364): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:08:54 (33364): 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\18\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\18\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
19:23:41 (33364): C:/Windows/system32/cmd.exe exited; CPU time 4409.859375
19:23:41 (33364): called boinc_finish(0)
0 bytes in 0 Free Blocks.
646 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: 81309609 bytes.
Dumping objects ->
{3835633} normal block at 0x0000026FD6A552E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835622} normal block at 0x0000026FD6A55430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835611} normal block at 0x0000026FD6A54E80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835600} normal block at 0x0000026FD4CD5FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x0000026FD4CD5DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835558} normal block at 0x0000026FD69F9530, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x0000026FD6A09110, 195 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) : {3835544} normal block at 0x0000026FD4CCE0F0, 8 bytes long.
 Data: <   &#213;o   > 00 00 18 D5 6F 02 00 00 
{3834742} normal block at 0x0000026FD6A09C10, 195 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000026FD4CCEA50, 8 bytes long.
 Data: <&#240;&#231;&#160;&#214;o   > F0 E7 A0 D6 6F 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000026FD4CD2F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000026FD4CC78C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000026FD4CD6C10, 16 bytes long.
 Data: < x&#205;&#212;o           > 18 78 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026FD4CD6B20, 16 bytes long.
 Data: <&#240;w&#205;&#212;o           > F0 77 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026FD4CD07D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000026FD4CD6D50, 16 bytes long.
 Data: <&#200;w&#205;&#212;o           > C8 77 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026FD4CD71B0, 16 bytes long.
 Data: <&#160;w&#205;&#212;o           > A0 77 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026FD4CD6580, 16 bytes long.
 Data: <xw&#205;&#212;o           > 78 77 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026FD4CD6710, 16 bytes long.
 Data: <Pw&#205;&#212;o           > 50 77 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026FD4CD5C30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000026FD4CD6BC0, 16 bytes long.
 Data: <x &#205;&#212;o           > 78 01 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026FD4CD0350, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000026FD4CD7250, 16 bytes long.
 Data: <P &#205;&#212;o           > 50 01 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026FD4CD7070, 16 bytes long.
 Data: <( &#205;&#212;o           > 28 01 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026FD4CD66C0, 16 bytes long.
 Data: <  &#205;&#212;o           > 00 01 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026FD4CD68F0, 16 bytes long.
 Data: <&#216; &#205;&#212;o           > D8 00 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026FD4CD72F0, 16 bytes long.
 Data: <&#176; &#205;&#212;o           > B0 00 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026FD4CD6B70, 16 bytes long.
 Data: <  &#205;&#212;o           > 88 00 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026FD4CD03B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000026FD4CD6FD0, 16 bytes long.
 Data: <` &#205;&#212;o           > 60 00 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026FD4CD0060, 320 bytes long.
 Data: <&#208;o&#205;&#212;o   &#176; &#205;&#212;o   > D0 6F CD D4 6F 02 00 00 B0 03 CD D4 6F 02 00 00 
{279} normal block at 0x0000026FD4CD6A30, 16 bytes long.
 Data: <0w&#205;&#212;o           > 30 77 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026FD4CD6990, 16 bytes long.
 Data: < w&#205;&#212;o           > 08 77 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026FD4CD0A10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000026FD4CD6DA0, 16 bytes long.
 Data: <&#224;v&#205;&#212;o           > E0 76 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026FD4CD0770, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000026FD4CD6F30, 16 bytes long.
 Data: <(v&#205;&#212;o           > 28 76 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026FD4CD72A0, 16 bytes long.
 Data: < v&#205;&#212;o           > 00 76 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026FD4CD73E0, 16 bytes long.
 Data: <&#216;u&#205;&#212;o           > D8 75 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026FD4CD6940, 16 bytes long.
 Data: <&#176;u&#205;&#212;o           > B0 75 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026FD4CD6E40, 16 bytes long.
 Data: < u&#205;&#212;o           > 88 75 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026FD4CD6AD0, 16 bytes long.
 Data: <`u&#205;&#212;o           > 60 75 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026FD4CD6670, 16 bytes long.
 Data: <pZ&#205;&#212;o           > 70 5A CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026FD4CD5A70, 40 bytes long.
 Data: <pf&#205;&#212;o   0&#149;&#159;&#214;o   > 70 66 CD D4 6F 02 00 00 30 95 9F D6 6F 02 00 00 
{265} normal block at 0x0000026FD4CD6D00, 16 bytes long.
 Data: <@u&#205;&#212;o           > 40 75 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026FD4CD70C0, 16 bytes long.
 Data: < u&#205;&#212;o           > 18 75 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026FD4CD1070, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000026FD4CD69E0, 16 bytes long.
 Data: <&#240;t&#205;&#212;o           > F0 74 CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026FD4CD74F0, 992 bytes long.
 Data: <&#224;i&#205;&#212;o   p &#205;&#212;o   > E0 69 CD D4 6F 02 00 00 70 10 CD D4 6F 02 00 00 
{97} normal block at 0x0000026FD4CD1130, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000026FD4CCE280, 16 bytes long.
 Data: <&#192;[&#205;&#212;o           > C0 5B CD D4 6F 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000026FD4CD5BC0, 40 bytes long.
 Data: < &#226;&#204;&#212;o   0 &#205;&#212;o   > 80 E2 CC D4 6F 02 00 00 30 11 CD D4 6F 02 00 00 
{74} normal block at 0x0000026FD4CCE910, 16 bytes long.
 Data: < &#234;B &#247;           > 80 EA 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000026FD4CCE2D0, 16 bytes long.
 Data: <@&#233;B &#247;           > 40 E9 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026FD4CCE4B0, 16 bytes long.
 Data: <&#248;W? &#247;           > F8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026FD4CCE550, 16 bytes long.
 Data: <&#216;W? &#247;           > D8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026FD4CCE8C0, 16 bytes long.
 Data: <P ? &#247;           > 50 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026FD4CCEB90, 16 bytes long.
 Data: <0 ? &#247;           > 30 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026FD4CCE5A0, 16 bytes long.
 Data: <&#224; ? &#247;           > E0 02 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026FD4CCE000, 16 bytes long.
 Data: <  ? &#247;           > 10 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026FD4CCE460, 16 bytes long.
 Data: <p ? &#247;           > 70 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026FD4CCE960, 16 bytes long.
 Data: < &#192;= &#247;           > 18 C0 3D 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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