Task 38687356

Name test_699-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND5028_0
Workunit 31628748
Created 28 Oct 2026, 7:20:35 UTC
Sent 28 Oct 2026, 7:20:40 UTC
Report deadline 2 Nov 2026, 7:20:40 UTC
Received 28 Oct 2026, 8:45:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604846
Run time 44 min 35 sec
CPU time 42 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.74 MB
Peak swap size 9.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:01:44 (1980): wrapper (7.9.26016): starting
03:01:44 (1980): 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
03:01:46 (1980): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:01:46 (1980): 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
03:44:36 (1980): C:/Windows/system32/cmd.exe exited; CPU time 2533.046875
03:44:36 (1980): 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: 46334879 bytes.
Dumping objects ->
{3835194} normal block at 0x000002B0737D83C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000002B0737D8580, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000002B0737D8350, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x000002B0737D82E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000002B0737D8510, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000002B07565FD00, 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) : {3835106} normal block at 0x000002B0737D1EE0, 8 bytes long.
 Data: <  zs&#176;   > 00 00 7A 73 B0 02 00 00 
{3833957} normal block at 0x000002B0737D2480, 8 bytes long.
 Data: <&#240;&#225;{s&#176;   > F0 E1 7B 73 B0 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002B0737C7400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B0737C83E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002B0737D9000, 16 bytes long.
 Data: < &#139;}s&#176;           > 98 8B 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B0737D9A50, 16 bytes long.
 Data: <p&#139;}s&#176;           > 70 8B 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B0737CF5D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002B0737D9C30, 16 bytes long.
 Data: <H&#139;}s&#176;           > 48 8B 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B0737D8FB0, 16 bytes long.
 Data: < &#139;}s&#176;           > 20 8B 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B0737D9460, 16 bytes long.
 Data: <&#248;&#138;}s&#176;           > F8 8A 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B0737D96E0, 16 bytes long.
 Data: <&#208;&#138;}s&#176;           > D0 8A 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B0737D8430, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002B0737D9410, 16 bytes long.
 Data: <H&#208;{s&#176;           > 48 D0 7B 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B0737CFC30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002B0737D9B40, 16 bytes long.
 Data: < &#208;{s&#176;           > 20 D0 7B 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B0737D95A0, 16 bytes long.
 Data: <&#248;&#207;{s&#176;           > F8 CF 7B 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B0737D8CE0, 16 bytes long.
 Data: <&#208;&#207;{s&#176;           > D0 CF 7B 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B0737D9AF0, 16 bytes long.
 Data: <&#168;&#207;{s&#176;           > A8 CF 7B 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B0737D91E0, 16 bytes long.
 Data: < &#207;{s&#176;           > 80 CF 7B 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B0737D9B90, 16 bytes long.
 Data: <X&#207;{s&#176;           > 58 CF 7B 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B0737CFB70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002B0737D93C0, 16 bytes long.
 Data: <0&#207;{s&#176;           > 30 CF 7B 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B0737BCF30, 320 bytes long.
 Data: <&#192;&#147;}s&#176;   p&#251;|s&#176;   > C0 93 7D 73 B0 02 00 00 70 FB 7C 73 B0 02 00 00 
{274} normal block at 0x000002B0737D99B0, 16 bytes long.
 Data: <&#176;&#138;}s&#176;           > B0 8A 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B0737D9910, 16 bytes long.
 Data: < &#138;}s&#176;           > 88 8A 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B0737CFAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002B0737D9A00, 16 bytes long.
 Data: <`&#138;}s&#176;           > 60 8A 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B0737CFA50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002B0737D9730, 16 bytes long.
 Data: <&#168;&#137;}s&#176;           > A8 89 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B0737D9960, 16 bytes long.
 Data: < &#137;}s&#176;           > 80 89 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B0737D9640, 16 bytes long.
 Data: <X&#137;}s&#176;           > 58 89 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B0737D9320, 16 bytes long.
 Data: <0&#137;}s&#176;           > 30 89 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B0737D9500, 16 bytes long.
 Data: < &#137;}s&#176;           > 08 89 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B0737D23E0, 16 bytes long.
 Data: <&#224; }s&#176;           > E0 88 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B0737D1F80, 16 bytes long.
 Data: <  }s&#176;           > 90 81 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B0737D8190, 40 bytes long.
 Data: <  }s&#176;    &#253;eu&#176;   > 80 1F 7D 73 B0 02 00 00 00 FD 65 75 B0 02 00 00 
{260} normal block at 0x000002B0737D1C60, 16 bytes long.
 Data: <&#192; }s&#176;           > C0 88 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B0737D22A0, 16 bytes long.
 Data: <  }s&#176;           > 98 88 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B0737CFBD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002B0737D1C10, 16 bytes long.
 Data: <p }s&#176;           > 70 88 7D 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002B0737D8870, 992 bytes long.
 Data: <  }s&#176;   &#208;&#251;|s&#176;   > 10 1C 7D 73 B0 02 00 00 D0 FB 7C 73 B0 02 00 00 
{92} normal block at 0x000002B0737CF330, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002B0737D2250, 16 bytes long.
 Data: < &#231;{s&#176;           > 20 E7 7B 73 B0 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002B0737BE720, 40 bytes long.
 Data: <P"}s&#176;   0&#243;|s&#176;   > 50 22 7D 73 B0 02 00 00 30 F3 7C 73 B0 02 00 00 
{69} normal block at 0x000002B0737D21B0, 16 bytes long.
 Data: < &#234;k_&#247;           > 80 EA 6B 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B0737D1CB0, 16 bytes long.
 Data: <@&#233;k_&#247;           > 40 E9 6B 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B0737D2020, 16 bytes long.
 Data: <&#248;Wh_&#247;           > F8 57 68 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B0737D1E90, 16 bytes long.
 Data: <&#216;Wh_&#247;           > D8 57 68 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B0737D1800, 16 bytes long.
 Data: <P h_&#247;           > 50 04 68 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B0737D17B0, 16 bytes long.
 Data: <0 h_&#247;           > 30 04 68 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B0737D2110, 16 bytes long.
 Data: <&#224; h_&#247;           > E0 02 68 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B0737D2390, 16 bytes long.
 Data: <  h_&#247;           > 10 04 68 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B0737D1AD0, 16 bytes long.
 Data: <p h_&#247;           > 70 04 68 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B0737D1A80, 16 bytes long.
 Data: < &#192;f_&#247;           > 18 C0 66 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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