Task 38675341

Name test_95-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND1486_0
Workunit 31617319
Created 26 Oct 2026, 7:58:38 UTC
Sent 26 Oct 2026, 7:58:43 UTC
Report deadline 31 Oct 2026, 7:58:43 UTC
Received 26 Oct 2026, 8:57:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618813
Run time 31 min 18 sec
CPU time 30 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 86,019.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.14 MB
Peak swap size 13.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:26:20 (38864): wrapper (7.9.26016): starting
04:26:20 (38864): 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
04:26:21 (38864): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:26:21 (38864): 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
04:56:46 (38864): C:/Windows/system32/cmd.exe exited; CPU time 1824.703125
04:56:46 (38864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 56373385 bytes.
Dumping objects ->
{3835426} normal block at 0x00000158E0DB11E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x00000158E0DB13A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835404} normal block at 0x00000158E0DB1170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835393} normal block at 0x00000158E0DB0D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x00000158E0DB0ED0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835351} normal block at 0x00000158DF0CF230, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835340} normal block at 0x00000158DF104DA0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835337} normal block at 0x00000158DF09D380, 8 bytes long.
 Data: <  &#195;&#224;X   > 00 00 C3 E0 58 01 00 00 
{3834683} normal block at 0x00000158DF104990, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834035} normal block at 0x00000158DF09D330, 8 bytes long.
 Data: <&#224;&#217; &#223;X   > E0 D9 17 DF 58 01 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x00000158DF08E4B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x00000158DF094190, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{333} normal block at 0x00000158DF0AB4A0, 16 bytes long.
 Data: <H} &#223;X           > 48 7D 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x00000158DF0AB900, 16 bytes long.
 Data: < } &#223;X           > 20 7D 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x00000158DF0A4390, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{330} normal block at 0x00000158DF0AB450, 16 bytes long.
 Data: <&#248;| &#223;X           > F8 7C 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x00000158DF0AB0E0, 16 bytes long.
 Data: <&#208;| &#223;X           > D0 7C 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x00000158DF0AB090, 16 bytes long.
 Data: <&#168;| &#223;X           > A8 7C 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x00000158DF0AB950, 16 bytes long.
 Data: < | &#223;X           > 80 7C 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x00000158DF0A8C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{325} normal block at 0x00000158DF0ABB30, 16 bytes long.
 Data: <&#248;&#246; &#223;X           > F8 F6 08 DF 58 01 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x00000158DF0A4A50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{323} normal block at 0x00000158DF0ABBD0, 16 bytes long.
 Data: <&#208;&#246; &#223;X           > D0 F6 08 DF 58 01 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x00000158DF0AB310, 16 bytes long.
 Data: <&#168;&#246; &#223;X           > A8 F6 08 DF 58 01 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x00000158DF0AB2C0, 16 bytes long.
 Data: < &#246; &#223;X           > 80 F6 08 DF 58 01 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x00000158DF0ABE50, 16 bytes long.
 Data: <X&#246; &#223;X           > 58 F6 08 DF 58 01 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x00000158DF0ABC20, 16 bytes long.
 Data: <0&#246; &#223;X           > 30 F6 08 DF 58 01 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x00000158DF0AB130, 16 bytes long.
 Data: < &#246; &#223;X           > 08 F6 08 DF 58 01 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x00000158DF0A42D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{315} normal block at 0x00000158DF0AB680, 16 bytes long.
 Data: <&#224;&#245; &#223;X           > E0 F5 08 DF 58 01 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x00000158DF08F5E0, 320 bytes long.
 Data: < &#182; &#223;X   &#208;B &#223;X   > 80 B6 0A DF 58 01 00 00 D0 42 0A DF 58 01 00 00 
{313} normal block at 0x00000158DF0AB400, 16 bytes long.
 Data: <`| &#223;X           > 60 7C 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x00000158DF0AB590, 16 bytes long.
 Data: <8| &#223;X           > 38 7C 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000158DF0A47B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{310} normal block at 0x00000158DF0ABF90, 16 bytes long.
 Data: < | &#223;X           > 10 7C 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000158DF0A45D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{308} normal block at 0x00000158DF0AB220, 16 bytes long.
 Data: <X{ &#223;X           > 58 7B 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000158DF0AB8B0, 16 bytes long.
 Data: <0{ &#223;X           > 30 7B 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000158DF0ABD10, 16 bytes long.
 Data: < { &#223;X           > 08 7B 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000158DF0AB630, 16 bytes long.
 Data: <&#224;z &#223;X           > E0 7A 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000158DF0ABF40, 16 bytes long.
 Data: <&#184;z &#223;X           > B8 7A 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000158DF0ABFE0, 16 bytes long.
 Data: < z &#223;X           > 90 7A 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000158DF0ABCC0, 16 bytes long.
 Data: < &#139; &#223;X           > 80 8B 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000158DF0A8B80, 40 bytes long.
 Data: <&#192;&#188; &#223;X   0&#242; &#223;X   > C0 BC 0A DF 58 01 00 00 30 F2 0C DF 58 01 00 00 
{299} normal block at 0x00000158DF0ABEF0, 16 bytes long.
 Data: <pz &#223;X           > 70 7A 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000158DF0ABAE0, 16 bytes long.
 Data: <Hz &#223;X           > 48 7A 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000158DF0A3D90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{296} normal block at 0x00000158DF0AB860, 16 bytes long.
 Data: < z &#223;X           > 20 7A 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000158DF0A7A20, 992 bytes long.
 Data: <`&#184; &#223;X    = &#223;X   > 60 B8 0A DF 58 01 00 00 90 3D 0A DF 58 01 00 00 
{131} normal block at 0x00000158DF0A4810, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{130} normal block at 0x00000158DF09C930, 16 bytes long.
 Data: <0&#138; &#223;X           > 30 8A 0A DF 58 01 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x00000158DF0A8A30, 40 bytes long.
 Data: <0&#201;	&#223;X    H &#223;X   > 30 C9 09 DF 58 01 00 00 10 48 0A DF 58 01 00 00 
{108} normal block at 0x00000158DF09D600, 16 bytes long.
 Data: < &#234;&#134; &#247;           > 80 EA 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x00000158DF09D290, 16 bytes long.
 Data: <@&#233;&#134; &#247;           > 40 E9 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000158DF09D240, 16 bytes long.
 Data: <&#248;W&#131; &#247;           > F8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000158DF09D5B0, 16 bytes long.
 Data: <&#216;W&#131; &#247;           > D8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x00000158DF09CCF0, 16 bytes long.
 Data: <P &#131; &#247;           > 50 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x00000158DF09D1A0, 16 bytes long.
 Data: <0 &#131; &#247;           > 30 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x00000158DF09CF20, 16 bytes long.
 Data: <&#224; &#131; &#247;           > E0 02 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x00000158DF09CF70, 16 bytes long.
 Data: <  &#131; &#247;           > 10 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000158DF09CE80, 16 bytes long.
 Data: <p &#131; &#247;           > 70 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x00000158DF09CCA0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 81 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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