Task 38674310

Name test_138-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND3367_0
Workunit 31616354
Created 26 Oct 2026, 4:55:13 UTC
Sent 26 Oct 2026, 4:55:21 UTC
Report deadline 31 Oct 2026, 4:55:21 UTC
Received 26 Oct 2026, 6:20:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645746
Run time 42 min 29 sec
CPU time 36 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 662.77 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:38:36 (17224): wrapper (7.9.26016): starting
01:38:36 (17224): 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
01:38:38 (17224): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:38:38 (17224): 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\1\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\1\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
02:19:50 (17224): C:/Windows/system32/cmd.exe exited; CPU time 2219.031250
02:19:50 (17224): 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: 41591733 bytes.
Dumping objects ->
{3835188} normal block at 0x0000000000614C60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000000000614AA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x0000000000614A30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835155} normal block at 0x00000000006149C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x0000000000614B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835113} normal block at 0x00000000025D64B0, 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) : {3835100} normal block at 0x000000000060F8A0, 8 bytes long.
 Data: <  W     > 00 00 57 00 00 00 00 00 
{3833951} normal block at 0x0000000000610660, 8 bytes long.
 Data: <0&#234;n     > 30 EA 6E 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000000000610C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000000000605FB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000000000616900, 16 bytes long.
 Data: < Ya             > 08 59 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000000006160E0, 16 bytes long.
 Data: <&#224;Xa             > E0 58 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000000000060F4E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000000000615C80, 16 bytes long.
 Data: <&#184;Xa             > B8 58 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000000006169A0, 16 bytes long.
 Data: < Xa             > 90 58 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000000006163B0, 16 bytes long.
 Data: <hXa             > 68 58 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000000000616680, 16 bytes long.
 Data: <@Xa             > 40 58 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000000000614DB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000000000616180, 16 bytes long.
 Data: <&#248; `             > F8 8F 60 00 00 00 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000000000060EE20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000000000616040, 16 bytes long.
 Data: <&#208; `             > D0 8F 60 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000000006166D0, 16 bytes long.
 Data: <&#168; `             > A8 8F 60 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000000000615F00, 16 bytes long.
 Data: <  `             > 80 8F 60 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000000000615AA0, 16 bytes long.
 Data: <X `             > 58 8F 60 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000000000615D20, 16 bytes long.
 Data: <0 `             > 30 8F 60 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000000000615C30, 16 bytes long.
 Data: <  `             > 08 8F 60 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000000000060E8E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000000000615FF0, 16 bytes long.
 Data: <&#224;&#142;`             > E0 8E 60 00 00 00 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000000000608EE0, 320 bytes long.
 Data: <&#240;_a     &#224;&#232;`     > F0 5F 61 00 00 00 00 00 E0 E8 60 00 00 00 00 00 
{271} normal block at 0x0000000000616630, 16 bytes long.
 Data: < Xa             > 20 58 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000000000615BE0, 16 bytes long.
 Data: <&#248;Wa             > F8 57 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000000000060E760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000000000616130, 16 bytes long.
 Data: <&#208;Wa             > D0 57 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000000000060F3C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000000006165E0, 16 bytes long.
 Data: < Wa             > 18 57 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000000000615B90, 16 bytes long.
 Data: <&#240;Va             > F0 56 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000000000615E60, 16 bytes long.
 Data: <&#200;Va             > C8 56 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000000000615EB0, 16 bytes long.
 Data: <&#160;Va             > A0 56 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000000000060FAD0, 16 bytes long.
 Data: <xVa             > 78 56 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000000000060F850, 16 bytes long.
 Data: <PVa             > 50 56 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000000000060F800, 16 bytes long.
 Data: < Ka             > 80 4B 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000000000614B80, 40 bytes long.
 Data: < &#248;`     &#176;d]     > 00 F8 60 00 00 00 00 00 B0 64 5D 02 00 00 00 00 
{257} normal block at 0x00000000006102A0, 16 bytes long.
 Data: <0Va             > 30 56 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000000000610020, 16 bytes long.
 Data: < Va             > 08 56 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000000000060E700, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000000000060F760, 16 bytes long.
 Data: <&#224;Ua             > E0 55 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000000006155E0, 992 bytes long.
 Data: <`&#247;`      &#231;`     > 60 F7 60 00 00 00 00 00 00 E7 60 00 00 00 00 00 
{89} normal block at 0x000000000060E880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000000000060FCB0, 16 bytes long.
 Data: < &#177;_             > 20 B1 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000000005FB120, 40 bytes long.
 Data: <&#176;&#252;`      &#232;`     > B0 FC 60 00 00 00 00 00 80 E8 60 00 00 00 00 00 
{66} normal block at 0x00000000006105C0, 16 bytes long.
 Data: < &#234;Wf&#247;           > 80 EA 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000000000060FBC0, 16 bytes long.
 Data: <@&#233;Wf&#247;           > 40 E9 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000000000610200, 16 bytes long.
 Data: <&#248;WTf&#247;           > F8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000000006102F0, 16 bytes long.
 Data: <&#216;WTf&#247;           > D8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000000000060FEE0, 16 bytes long.
 Data: <P Tf&#247;           > 50 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000000000610110, 16 bytes long.
 Data: <0 Tf&#247;           > 30 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000000000060F8F0, 16 bytes long.
 Data: <&#224; Tf&#247;           > E0 02 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000000000610250, 16 bytes long.
 Data: <  Tf&#247;           > 10 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000000000060FA80, 16 bytes long.
 Data: <p Tf&#247;           > 70 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000000000610520, 16 bytes long.
 Data: < &#192;Rf&#247;           > 18 C0 52 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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