Task 38667591

Name test_292-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3097_0
Workunit 31610201
Created 25 Oct 2026, 8:35:55 UTC
Sent 25 Oct 2026, 8:35:57 UTC
Report deadline 30 Oct 2026, 8:35:57 UTC
Received 25 Oct 2026, 9:45:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 33 min 46 sec
CPU time 32 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.10 MB
Peak swap size 3.55 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:12:30 (14676): wrapper (7.9.26016): starting
17:12:30 (14676): 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
17:12:32 (14676): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:12:32 (14676): 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 'D:\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 'D:\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
17:45:22 (14676): C:/Windows/system32/cmd.exe exited; CPU time 1955.234375
17:45:22 (14676): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 25466435 bytes.
Dumping objects ->
{3835056} normal block at 0x0000024F2A9DD660, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835045} normal block at 0x0000024F2A9DCBE0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835034} normal block at 0x0000024F2A9DCB70, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835023} normal block at 0x0000024F2A9DC7F0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835012} normal block at 0x0000024F28EEB740, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3834981} normal block at 0x0000024F2AA0B7D0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3834970} normal block at 0x0000024F28EE8440, 200 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) : {3834967} normal block at 0x0000024F28EE6530, 8 bytes long.
 Data: <  &#236;(O   > 00 00 EC 28 4F 02 00 00 
{3834466} normal block at 0x0000024F28EE8EE0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x0000024F28EE64E0, 8 bytes long.
 Data: < &#195; *O   > 20 C3 9D 2A 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000024F28EF23F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024F28ED5B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000024F28EF3520, 16 bytes long.
 Data: <&#232;D&#239;(O           > E8 44 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024F28EF4100, 16 bytes long.
 Data: <&#192;D&#239;(O           > C0 44 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024F28EED670, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000024F28EF3F70, 16 bytes long.
 Data: < D&#239;(O           > 98 44 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024F28EF3E80, 16 bytes long.
 Data: <pD&#239;(O           > 70 44 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024F28EF3CF0, 16 bytes long.
 Data: <HD&#239;(O           > 48 44 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024F28EF3B10, 16 bytes long.
 Data: < D&#239;(O           > 20 44 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024F28EEB190, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000024F28EF32F0, 16 bytes long.
 Data: < Z&#237;(O           > 98 5A ED 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024F28EEE210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000024F28EF3700, 16 bytes long.
 Data: <pZ&#237;(O           > 70 5A ED 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024F28EF3AC0, 16 bytes long.
 Data: <HZ&#237;(O           > 48 5A ED 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024F28EF3CA0, 16 bytes long.
 Data: < Z&#237;(O           > 20 5A ED 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024F28EF4060, 16 bytes long.
 Data: <&#248;Y&#237;(O           > F8 59 ED 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024F28EF3FC0, 16 bytes long.
 Data: <&#208;Y&#237;(O           > D0 59 ED 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024F28EF3A20, 16 bytes long.
 Data: <&#168;Y&#237;(O           > A8 59 ED 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024F28EEE1B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x0000024F28EF3F20, 16 bytes long.
 Data: < Y&#237;(O           > 80 59 ED 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024F28ED5980, 320 bytes long.
 Data: < ?&#239;(O   &#176;&#225;&#238;(O   > 20 3F EF 28 4F 02 00 00 B0 E1 EE 28 4F 02 00 00 
{267} normal block at 0x0000024F28EF3750, 16 bytes long.
 Data: < D&#239;(O           > 00 44 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024F28EF3E30, 16 bytes long.
 Data: <&#216;C&#239;(O           > D8 43 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024F28EED6D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000024F28EF34D0, 16 bytes long.
 Data: <&#176;C&#239;(O           > B0 43 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024F28EED4F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000024F28EF4010, 16 bytes long.
 Data: <&#248;B&#239;(O           > F8 42 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024F28EF3D40, 16 bytes long.
 Data: <&#208;B&#239;(O           > D0 42 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024F28EF3980, 16 bytes long.
 Data: <&#168;B&#239;(O           > A8 42 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024F28EF3390, 16 bytes long.
 Data: < B&#239;(O           > 80 42 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024F28EF3C50, 16 bytes long.
 Data: <XB&#239;(O           > 58 42 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024F28EF40B0, 16 bytes long.
 Data: <0B&#239;(O           > 30 42 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024F28EF3A70, 16 bytes long.
 Data: < &#177;&#238;(O           > 20 B1 EE 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024F28EEB120, 40 bytes long.
 Data: <p:&#239;(O   &#208;&#183;&#160;*O   > 70 3A EF 28 4F 02 00 00 D0 B7 A0 2A 4F 02 00 00 
{253} normal block at 0x0000024F28EF3DE0, 16 bytes long.
 Data: < B&#239;(O           > 10 42 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024F28EF3C00, 16 bytes long.
 Data: <&#232;A&#239;(O           > E8 41 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000024F28EED850, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000024F28EF3340, 16 bytes long.
 Data: <&#192;A&#239;(O           > C0 41 EF 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000024F28EF41C0, 992 bytes long.
 Data: <@3&#239;(O   P&#216;&#238;(O   > 40 33 EF 28 4F 02 00 00 50 D8 EE 28 4F 02 00 00 
{85} normal block at 0x0000024F28EEE090, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000024F28EE73E0, 16 bytes long.
 Data: <&#224;&#178;&#238;(O           > E0 B2 EE 28 4F 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000024F28EEB2E0, 40 bytes long.
 Data: <&#224;s&#238;(O    &#224;&#238;(O   > E0 73 EE 28 4F 02 00 00 90 E0 EE 28 4F 02 00 00 
{62} normal block at 0x0000024F28EE7070, 16 bytes long.
 Data: < &#234;54&#247;           > 80 EA 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024F28EE6670, 16 bytes long.
 Data: <@&#233;54&#247;           > 40 E9 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024F28EE7390, 16 bytes long.
 Data: <&#248;W24&#247;           > F8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024F28EE7340, 16 bytes long.
 Data: <&#216;W24&#247;           > D8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024F28EE68A0, 16 bytes long.
 Data: <P 24&#247;           > 50 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024F28EE72A0, 16 bytes long.
 Data: <0 24&#247;           > 30 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024F28EE6D50, 16 bytes long.
 Data: <&#224; 24&#247;           > E0 02 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000024F28EE7160, 16 bytes long.
 Data: <  24&#247;           > 10 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000024F28EE7250, 16 bytes long.
 Data: <p 24&#247;           > 70 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000024F28EE6CB0, 16 bytes long.
 Data: < &#192;04&#247;           > 18 C0 30 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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