Task 38678433

Name test_243-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4623_0
Workunit 31620252
Created 26 Oct 2026, 17:23:19 UTC
Sent 26 Oct 2026, 17:23:24 UTC
Report deadline 31 Oct 2026, 17:23:24 UTC
Received 26 Oct 2026, 18:14:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646090
Run time 37 min 9 sec
CPU time 33 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.88 MB
Peak swap size 6.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
10:37:36 (32792): wrapper (7.9.26016): starting
10:37:36 (32792): 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
10:37:38 (32792): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:37:38 (32792): 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
11:14:09 (32792): C:/Windows/system32/cmd.exe exited; CPU time 2006.265625
11:14:09 (32792): 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: 44002897 bytes.
Dumping objects ->
{3835211} normal block at 0x000002456F665C90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x000002456F665C20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x000002456F6660F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835178} normal block at 0x000002456F6665C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x000002456F665BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835136} normal block at 0x000002456F664E00, 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) : {3835123} normal block at 0x000002456D86E780, 8 bytes long.
 Data: <  &#221;mE   > 00 00 DD 6D 45 02 00 00 
{3833973} normal block at 0x000002456D86E4B0, 8 bytes long.
 Data: <@YioE   > 40 59 69 6F 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000002456D872530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002456D8675F0, 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 0x000002456D8770D0, 16 bytes long.
 Data: <H{&#135;mE           > 48 7B 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002456D876BD0, 16 bytes long.
 Data: < {&#135;mE           > 20 7B 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002456D871620, 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 0x000002456D876CC0, 16 bytes long.
 Data: <&#248;z&#135;mE           > F8 7A 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002456D877170, 16 bytes long.
 Data: <&#208;z&#135;mE           > D0 7A 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002456D8768B0, 16 bytes long.
 Data: <&#168;z&#135;mE           > A8 7A 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002456D877490, 16 bytes long.
 Data: < z&#135;mE           > 80 7A 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002456D874EB0, 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 0x000002456D876860, 16 bytes long.
 Data: <&#216;&#254;&#133;mE           > D8 FE 85 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002456D870A20, 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 0x000002456D876B80, 16 bytes long.
 Data: <&#176;&#254;&#133;mE           > B0 FE 85 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002456D877440, 16 bytes long.
 Data: < &#254;&#133;mE           > 88 FE 85 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002456D8777B0, 16 bytes long.
 Data: <`&#254;&#133;mE           > 60 FE 85 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002456D8771C0, 16 bytes long.
 Data: <8&#254;&#133;mE           > 38 FE 85 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002456D876AE0, 16 bytes long.
 Data: < &#254;&#133;mE           > 10 FE 85 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002456D876A90, 16 bytes long.
 Data: <&#232;&#253;&#133;mE           > E8 FD 85 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002456D870D20, 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 0x000002456D8775D0, 16 bytes long.
 Data: <&#192;&#253;&#133;mE           > C0 FD 85 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002456D85FDC0, 320 bytes long.
 Data: <&#208;u&#135;mE     &#135;mE   > D0 75 87 6D 45 02 00 00 20 0D 87 6D 45 02 00 00 
{282} normal block at 0x000002456D877710, 16 bytes long.
 Data: <`z&#135;mE           > 60 7A 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002456D8774E0, 16 bytes long.
 Data: <8z&#135;mE           > 38 7A 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002456D870C60, 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 0x000002456D877350, 16 bytes long.
 Data: < z&#135;mE           > 10 7A 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002456D871560, 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 0x000002456D876EA0, 16 bytes long.
 Data: <Xy&#135;mE           > 58 79 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002456D877530, 16 bytes long.
 Data: <0y&#135;mE           > 30 79 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002456D876F90, 16 bytes long.
 Data: < y&#135;mE           > 08 79 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002456D8773F0, 16 bytes long.
 Data: <&#224;x&#135;mE           > E0 78 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002456D876C70, 16 bytes long.
 Data: <&#184;x&#135;mE           > B8 78 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002456D877300, 16 bytes long.
 Data: < x&#135;mE           > 90 78 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002456D8772B0, 16 bytes long.
 Data: <PQ&#135;mE           > 50 51 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002456D875150, 40 bytes long.
 Data: <&#176;r&#135;mE    NfoE   > B0 72 87 6D 45 02 00 00 00 4E 66 6F 45 02 00 00 
{268} normal block at 0x000002456D877760, 16 bytes long.
 Data: <px&#135;mE           > 70 78 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002456D8776C0, 16 bytes long.
 Data: <Hx&#135;mE           > 48 78 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002456D870AE0, 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 0x000002456D876C20, 16 bytes long.
 Data: < x&#135;mE           > 20 78 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002456D877820, 992 bytes long.
 Data: < l&#135;mE   &#224; &#135;mE   > 20 6C 87 6D 45 02 00 00 E0 0A 87 6D 45 02 00 00 
{100} normal block at 0x000002456D8712C0, 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 0x000002456D86EAA0, 16 bytes long.
 Data: < O&#135;mE           > 90 4F 87 6D 45 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x000002456D874F90, 40 bytes long.
 Data: <&#160;&#234;&#134;mE   &#192; &#135;mE   > A0 EA 86 6D 45 02 00 00 C0 12 87 6D 45 02 00 00 
{77} normal block at 0x000002456D86E460, 16 bytes long.
 Data: < &#234;&#131;&#255;&#247;           > 80 EA 83 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002456D86ED20, 16 bytes long.
 Data: <@&#233;&#131;&#255;&#247;           > 40 E9 83 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002456D86E6E0, 16 bytes long.
 Data: <&#248;W &#255;&#247;           > F8 57 80 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002456D86E870, 16 bytes long.
 Data: <&#216;W &#255;&#247;           > D8 57 80 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002456D86F090, 16 bytes long.
 Data: <P  &#255;&#247;           > 50 04 80 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002456D86F130, 16 bytes long.
 Data: <0  &#255;&#247;           > 30 04 80 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002456D86F040, 16 bytes long.
 Data: <&#224;  &#255;&#247;           > E0 02 80 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002456D86EFA0, 16 bytes long.
 Data: <   &#255;&#247;           > 10 04 80 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002456D86E1E0, 16 bytes long.
 Data: <p  &#255;&#247;           > 70 04 80 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002456D86E410, 16 bytes long.
 Data: < &#192;~&#255;&#247;           > 18 C0 7E FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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