Task 38686117

Name test_157-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9681_0
Workunit 31627559
Created 28 Oct 2026, 0:46:06 UTC
Sent 28 Oct 2026, 0:46:08 UTC
Report deadline 2 Nov 2026, 0:46:08 UTC
Received 28 Oct 2026, 2:01:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644675
Run time 24 min 31 sec
CPU time 21 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.21 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
21:02:36 (10016): wrapper (7.9.26016): starting
21:02:36 (10016): 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
21:02:37 (10016): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:02:37 (10016): 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\17\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\17\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
21:25:59 (10016): C:/Windows/system32/cmd.exe exited; CPU time 1305.937500
21:25:59 (10016): 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: 38602249 bytes.
Dumping objects ->
{3835602} normal block at 0x000001C865BCF7B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835591} normal block at 0x000001C865BCF820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835580} normal block at 0x000001C865BCF6D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835569} normal block at 0x000001C863F36ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001C863F36F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835527} normal block at 0x000001C865C19310, 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) : {3835514} normal block at 0x000001C863F2C5A0, 8 bytes long.
 Data: <  /d&#200;   > 00 00 2F 64 C8 01 00 00 
{3833973} normal block at 0x000001C863F2C4B0, 8 bytes long.
 Data: <`&#131;&#199;e&#200;   > 60 83 C7 65 C8 01 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001C863F31AD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001C863F28840, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x000001C863F37BE0, 16 bytes long.
 Data: <  &#243;c&#200;           > 88 88 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001C863F37C30, 16 bytes long.
 Data: <` &#243;c&#200;           > 60 88 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C863F2FA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x000001C863F37EB0, 16 bytes long.
 Data: <8 &#243;c&#200;           > 38 88 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C863F38450, 16 bytes long.
 Data: <  &#243;c&#200;           > 10 88 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C863F37B90, 16 bytes long.
 Data: <&#232;&#135;&#243;c&#200;           > E8 87 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C863F38180, 16 bytes long.
 Data: <&#192;&#135;&#243;c&#200;           > C0 87 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C863F36C30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x000001C863F38130, 16 bytes long.
 Data: <&#232;'&#243;c&#200;           > E8 27 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C863F2FF00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x000001C863F37FF0, 16 bytes long.
 Data: <&#192;'&#243;c&#200;           > C0 27 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C863F38400, 16 bytes long.
 Data: < '&#243;c&#200;           > 98 27 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C863F37F50, 16 bytes long.
 Data: <p'&#243;c&#200;           > 70 27 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C863F37E60, 16 bytes long.
 Data: <H'&#243;c&#200;           > 48 27 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C863F384F0, 16 bytes long.
 Data: < '&#243;c&#200;           > 20 27 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C863F37A00, 16 bytes long.
 Data: <&#248;&&#243;c&#200;           > F8 26 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C863F304A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x000001C863F37640, 16 bytes long.
 Data: <&#208;&&#243;c&#200;           > D0 26 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C863F326D0, 320 bytes long.
 Data: <@v&#243;c&#200;   &#160; &#243;c&#200;   > 40 76 F3 63 C8 01 00 00 A0 04 F3 63 C8 01 00 00 
{282} normal block at 0x000001C863F38040, 16 bytes long.
 Data: <&#160;&#135;&#243;c&#200;           > A0 87 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C863F37D70, 16 bytes long.
 Data: <x&#135;&#243;c&#200;           > 78 87 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C863F30560, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x000001C863F37E10, 16 bytes long.
 Data: <P&#135;&#243;c&#200;           > 50 87 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C863F2F6C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x000001C863F377D0, 16 bytes long.
 Data: < &#134;&#243;c&#200;           > 98 86 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C863F37B40, 16 bytes long.
 Data: <p&#134;&#243;c&#200;           > 70 86 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C863F37A50, 16 bytes long.
 Data: <H&#134;&#243;c&#200;           > 48 86 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C863F37C80, 16 bytes long.
 Data: < &#134;&#243;c&#200;           > 20 86 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C863F383B0, 16 bytes long.
 Data: <&#248;&#133;&#243;c&#200;           > F8 85 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C863F37DC0, 16 bytes long.
 Data: <&#208;&#133;&#243;c&#200;           > D0 85 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C863F37AF0, 16 bytes long.
 Data: < p&#243;c&#200;           > 20 70 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C863F37020, 40 bytes long.
 Data: <&#240;z&#243;c&#200;    &#147;&#193;e&#200;   > F0 7A F3 63 C8 01 00 00 10 93 C1 65 C8 01 00 00 
{268} normal block at 0x000001C863F380E0, 16 bytes long.
 Data: <&#176;&#133;&#243;c&#200;           > B0 85 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C863F384A0, 16 bytes long.
 Data: < &#133;&#243;c&#200;           > 88 85 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C863F300E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x000001C863F375A0, 16 bytes long.
 Data: <`&#133;&#243;c&#200;           > 60 85 F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C863F38560, 992 bytes long.
 Data: <&#160;u&#243;c&#200;   &#224; &#243;c&#200;   > A0 75 F3 63 C8 01 00 00 E0 00 F3 63 C8 01 00 00 
{100} normal block at 0x000001C863F2FDE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x000001C863F2C190, 16 bytes long.
 Data: <pj&#243;c&#200;           > 70 6A F3 63 C8 01 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x000001C863F36A70, 40 bytes long.
 Data: < &#193;&#242;c&#200;   &#224;&#253;&#242;c&#200;   > 90 C1 F2 63 C8 01 00 00 E0 FD F2 63 C8 01 00 00 
{77} normal block at 0x000001C863F2BA10, 16 bytes long.
 Data: < &#234;v&#193;&#246;           > 80 EA 76 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001C863F2B7E0, 16 bytes long.
 Data: <@&#233;v&#193;&#246;           > 40 E9 76 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001C863F2C2D0, 16 bytes long.
 Data: <&#248;Ws&#193;&#246;           > F8 57 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001C863F2C410, 16 bytes long.
 Data: <&#216;Ws&#193;&#246;           > D8 57 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C863F2BFB0, 16 bytes long.
 Data: <P s&#193;&#246;           > 50 04 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C863F2B740, 16 bytes long.
 Data: <0 s&#193;&#246;           > 30 04 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C863F2BA60, 16 bytes long.
 Data: <&#224; s&#193;&#246;           > E0 02 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C863F2B790, 16 bytes long.
 Data: <  s&#193;&#246;           > 10 04 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C863F2C460, 16 bytes long.
 Data: <p s&#193;&#246;           > 70 04 73 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C863F2BEC0, 16 bytes long.
 Data: < &#192;q&#193;&#246;           > 18 C0 71 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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