Task 38645513

Name test_140-GPUGRID_TEST_ATM_500_20261023-0-1-RND2414_0
Workunit 31590477
Created 23 Oct 2026, 16:05:12 UTC
Sent 23 Oct 2026, 16:18:53 UTC
Report deadline 28 Oct 2026, 16:18:53 UTC
Received 23 Oct 2026, 19:17:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 574909
Run time 2 hours 46 min 21 sec
CPU time 2 hours 41 min 37 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 635.44 MB
Peak swap size 5.21 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:32:35 (16224): wrapper (7.9.26016): starting
11:32:35 (16224): 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
11:32:37 (16224): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:32:37 (16224): 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
14:17:22 (16224): C:/Windows/system32/cmd.exe exited; CPU time 9697.390625
14:17:22 (16224): 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: 159777821 bytes.
Dumping objects ->
{3835202} normal block at 0x000001A173478B30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001A173478900, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x000001A1734786D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x000001A173478430, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x000001A171694F20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x000001A173418480, 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) : {3835114} normal block at 0x000001A1716915F0, 8 bytes long.
 Data: <  &#185;q&#161;   > 00 00 B9 71 A1 01 00 00 
{3833965} normal block at 0x000001A171691410, 8 bytes long.
 Data: <&#224;oGs&#161;   > E0 6F 47 73 A1 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001A17168C960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A171686D20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001A171699D90, 16 bytes long.
 Data: < &#168;iq&#161;           > 08 A8 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A171699840, 16 bytes long.
 Data: <&#224;&#167;iq&#161;           > E0 A7 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A171693620, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001A171699FC0, 16 bytes long.
 Data: <&#184;&#167;iq&#161;           > B8 A7 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A171699B10, 16 bytes long.
 Data: < &#167;iq&#161;           > 90 A7 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A171699610, 16 bytes long.
 Data: <h&#167;iq&#161;           > 68 A7 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A171699980, 16 bytes long.
 Data: <@&#167;iq&#161;           > 40 A7 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A171694F90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001A1716995C0, 16 bytes long.
 Data: < &#237;gq&#161;           > 98 ED 67 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A1716938C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001A17169A100, 16 bytes long.
 Data: <p&#237;gq&#161;           > 70 ED 67 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A1716996B0, 16 bytes long.
 Data: <H&#237;gq&#161;           > 48 ED 67 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A1716997A0, 16 bytes long.
 Data: < &#237;gq&#161;           > 20 ED 67 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A171699C50, 16 bytes long.
 Data: <&#248;&#236;gq&#161;           > F8 EC 67 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A171699D40, 16 bytes long.
 Data: <&#208;&#236;gq&#161;           > D0 EC 67 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A1716998E0, 16 bytes long.
 Data: <&#168;&#236;gq&#161;           > A8 EC 67 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A171693D40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001A171699570, 16 bytes long.
 Data: < &#236;gq&#161;           > 80 EC 67 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A17167EC80, 320 bytes long.
 Data: <p&#149;iq&#161;   @=iq&#161;   > 70 95 69 71 A1 01 00 00 40 3D 69 71 A1 01 00 00 
{278} normal block at 0x000001A17169A290, 16 bytes long.
 Data: < &#167;iq&#161;           > 20 A7 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A171699A70, 16 bytes long.
 Data: <&#248;&#166;iq&#161;           > F8 A6 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A1716937A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001A17169A240, 16 bytes long.
 Data: <&#208;&#166;iq&#161;           > D0 A6 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A171693680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001A171699C00, 16 bytes long.
 Data: < &#166;iq&#161;           > 18 A6 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A171699930, 16 bytes long.
 Data: <&#240;&#165;iq&#161;           > F0 A5 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A171699700, 16 bytes long.
 Data: <&#200;&#165;iq&#161;           > C8 A5 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A171699520, 16 bytes long.
 Data: <&#160;&#165;iq&#161;           > A0 A5 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A17169A1A0, 16 bytes long.
 Data: <x&#165;iq&#161;           > 78 A5 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A17169A3D0, 16 bytes long.
 Data: <P&#165;iq&#161;           > 50 A5 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A1716997F0, 16 bytes long.
 Data: <pPiq&#161;           > 70 50 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A171695070, 40 bytes long.
 Data: <&#240;&#151;iq&#161;    &#132;As&#161;   > F0 97 69 71 A1 01 00 00 80 84 41 73 A1 01 00 00 
{264} normal block at 0x000001A17169A0B0, 16 bytes long.
 Data: <0&#165;iq&#161;           > 30 A5 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A171699750, 16 bytes long.
 Data: < &#165;iq&#161;           > 08 A5 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A171693CE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001A171699E30, 16 bytes long.
 Data: <&#224;&#164;iq&#161;           > E0 A4 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A17169A4E0, 992 bytes long.
 Data: <0&#158;iq&#161;   &#224;<iq&#161;   > 30 9E 69 71 A1 01 00 00 E0 3C 69 71 A1 01 00 00 
{96} normal block at 0x000001A171693920, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001A171691C30, 16 bytes long.
 Data: <&#160;Kiq&#161;           > A0 4B 69 71 A1 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001A171694BA0, 40 bytes long.
 Data: <0 iq&#161;    9iq&#161;   > 30 1C 69 71 A1 01 00 00 20 39 69 71 A1 01 00 00 
{73} normal block at 0x000001A171691370, 16 bytes long.
 Data: < &#234; &#241;&#247;           > 80 EA 1C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A171692040, 16 bytes long.
 Data: <@&#233; &#241;&#247;           > 40 E9 1C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A171691F50, 16 bytes long.
 Data: <&#248;W &#241;&#247;           > F8 57 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A171691FF0, 16 bytes long.
 Data: <&#216;W &#241;&#247;           > D8 57 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A171691230, 16 bytes long.
 Data: <P  &#241;&#247;           > 50 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A171691460, 16 bytes long.
 Data: <0  &#241;&#247;           > 30 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A171691D20, 16 bytes long.
 Data: <&#224;  &#241;&#247;           > E0 02 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A171691CD0, 16 bytes long.
 Data: <   &#241;&#247;           > 10 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A1716913C0, 16 bytes long.
 Data: <p  &#241;&#247;           > 70 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A171691C80, 16 bytes long.
 Data: < &#192; &#241;&#247;           > 18 C0 17 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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