Task 38661713

Name test_110-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7511_0
Workunit 31605104
Created 24 Oct 2026, 16:10:54 UTC
Sent 24 Oct 2026, 17:10:43 UTC
Report deadline 29 Oct 2026, 17:10:43 UTC
Received 24 Oct 2026, 21:14:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618813
Run time 39 min 10 sec
CPU time 38 min 4 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 724.95 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>
13:14:00 (49756): wrapper (7.9.26016): starting
13:14:00 (49756): 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
13:14:01 (49756): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:14:01 (49756): 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
13:52:14 (49756): C:/Windows/system32/cmd.exe exited; CPU time 2284.156250
13:52:14 (49756): 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: 72204181 bytes.
Dumping objects ->
{3835426} normal block at 0x0000018C1BFF0D10, 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 0x0000018C1BFF11E0, 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 0x0000018C1BFF12C0, 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 0x0000018C1BFF0F40, 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 0x0000018C1BFF1100, 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 0x0000018C1A3DFDB0, 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 0x0000018C1A414E70, 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 0x0000018C1A3ACF20, 8 bytes long.
 Data: <  &#224; &#140;   > 00 00 E0 1B 8C 01 00 00 
{3834683} normal block at 0x0000018C1A414720, 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 0x0000018C1A3AD4C0, 8 bytes long.
 Data: <&#224;&#217;H &#140;   > E0 D9 48 1A 8C 01 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x0000018C1A39D830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x0000018C1A3A4220, 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 0x0000018C1A3BB8B0, 16 bytes long.
 Data: <H}; &#140;           > 48 7D 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x0000018C1A3BB3B0, 16 bytes long.
 Data: < }; &#140;           > 20 7D 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x0000018C1A3B4870, 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 0x0000018C1A3BBA40, 16 bytes long.
 Data: <&#248;|; &#140;           > F8 7C 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x0000018C1A3BB360, 16 bytes long.
 Data: <&#208;|; &#140;           > D0 7C 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x0000018C1A3BB220, 16 bytes long.
 Data: <&#168;|; &#140;           > A8 7C 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x0000018C1A3BBB30, 16 bytes long.
 Data: < |; &#140;           > 80 7C 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x0000018C1A3B8F00, 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 0x0000018C1A3BBE00, 16 bytes long.
 Data: <&#248;&#246;9 &#140;           > F8 F6 39 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x0000018C1A3B4090, 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 0x0000018C1A3BB2C0, 16 bytes long.
 Data: <&#208;&#246;9 &#140;           > D0 F6 39 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x0000018C1A3BBC20, 16 bytes long.
 Data: <&#168;&#246;9 &#140;           > A8 F6 39 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x0000018C1A3BB270, 16 bytes long.
 Data: < &#246;9 &#140;           > 80 F6 39 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x0000018C1A3BB810, 16 bytes long.
 Data: <X&#246;9 &#140;           > 58 F6 39 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x0000018C1A3BB590, 16 bytes long.
 Data: <0&#246;9 &#140;           > 30 F6 39 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x0000018C1A3BB680, 16 bytes long.
 Data: < &#246;9 &#140;           > 08 F6 39 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x0000018C1A3B49F0, 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 0x0000018C1A3BBB80, 16 bytes long.
 Data: <&#224;&#245;9 &#140;           > E0 F5 39 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x0000018C1A39F5E0, 320 bytes long.
 Data: < &#187;; &#140;   &#240;I; &#140;   > 80 BB 3B 1A 8C 01 00 00 F0 49 3B 1A 8C 01 00 00 
{313} normal block at 0x0000018C1A3BB1D0, 16 bytes long.
 Data: <`|; &#140;           > 60 7C 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000018C1A3BB180, 16 bytes long.
 Data: <8|; &#140;           > 38 7C 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000018C1A3B4750, 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 0x0000018C1A3BB7C0, 16 bytes long.
 Data: < |; &#140;           > 10 7C 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000018C1A3B3FD0, 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 0x0000018C1A3BBF40, 16 bytes long.
 Data: <X{; &#140;           > 58 7B 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000018C1A3BB130, 16 bytes long.
 Data: <0{; &#140;           > 30 7B 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000018C1A3BBEF0, 16 bytes long.
 Data: < {; &#140;           > 08 7B 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000018C1A3BB770, 16 bytes long.
 Data: <&#224;z; &#140;           > E0 7A 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000018C1A3BB5E0, 16 bytes long.
 Data: <&#184;z; &#140;           > B8 7A 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000018C1A3BB900, 16 bytes long.
 Data: < z; &#140;           > 90 7A 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000018C1A3BBD60, 16 bytes long.
 Data: <0&#138;; &#140;           > 30 8A 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000018C1A3B8A30, 40 bytes long.
 Data: <`&#189;; &#140;   &#176;&#253;= &#140;   > 60 BD 3B 1A 8C 01 00 00 B0 FD 3D 1A 8C 01 00 00 
{299} normal block at 0x0000018C1A3BB540, 16 bytes long.
 Data: <pz; &#140;           > 70 7A 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018C1A3BB4F0, 16 bytes long.
 Data: <Hz; &#140;           > 48 7A 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018C1A3B3BB0, 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 0x0000018C1A3BB400, 16 bytes long.
 Data: < z; &#140;           > 20 7A 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018C1A3B7A20, 992 bytes long.
 Data: < &#180;; &#140;   &#176;;; &#140;   > 00 B4 3B 1A 8C 01 00 00 B0 3B 3B 1A 8C 01 00 00 
{131} normal block at 0x0000018C1A3B4810, 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 0x0000018C1A3ACFC0, 16 bytes long.
 Data: < &#142;; &#140;           > 20 8E 3B 1A 8C 01 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x0000018C1A3B8E20, 40 bytes long.
 Data: <&#192;&#207;: &#140;    H; &#140;   > C0 CF 3A 1A 8C 01 00 00 10 48 3B 1A 8C 01 00 00 
{108} normal block at 0x0000018C1A3ACBB0, 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 0x0000018C1A3ACED0, 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 0x0000018C1A3ACB60, 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 0x0000018C1A3AD150, 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 0x0000018C1A3AD3D0, 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 0x0000018C1A3AD330, 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 0x0000018C1A3ACF70, 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 0x0000018C1A3ACB10, 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 0x0000018C1A3AD100, 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 0x0000018C1A3ACAC0, 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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