Task 38684996

Name test_293-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4941_0
Workunit 31626489
Created 27 Oct 2026, 18:55:10 UTC
Sent 27 Oct 2026, 18:55:12 UTC
Report deadline 1 Nov 2026, 18:55:12 UTC
Received 27 Oct 2026, 20:11:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 28 sec
CPU time 36 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.15 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:33:49 (3632): wrapper (7.9.26016): starting
20:33:49 (3632): 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
20:33:50 (3632): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:33:50 (3632): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
21:10:19 (3632): C:/Windows/system32/cmd.exe exited; CPU time 2198.593750
21:10:19 (3632): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 26551825 bytes.
Dumping objects ->
{3835238} normal block at 0x00000183F6410DB0, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x00000183F64116E0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x00000183F6411830, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x00000183F6411130, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x00000183F6410F00, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x00000183F64BDBE0, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x00000183F49AC7D0, 160 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) : {3835149} normal block at 0x00000183F49B85E0, 8 bytes long.
 Data: <  &#150;&#244;&#131;   > 00 00 96 F4 83 01 00 00 
{3834546} normal block at 0x00000183F49AC6F0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000183F49B7AF0, 8 bytes long.
 Data: < &#235;&#169;&#244;&#131;   > 80 EB A9 F4 83 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000183F49C3110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000183F49C4050, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000183F49C4F60, 16 bytes long.
 Data: <8T&#156;&#244;&#131;           > 38 54 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000183F49C4EC0, 16 bytes long.
 Data: < T&#156;&#244;&#131;           > 10 54 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000183F49BC950, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000183F49C4FB0, 16 bytes long.
 Data: <&#232;S&#156;&#244;&#131;           > E8 53 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000183F49C4D80, 16 bytes long.
 Data: <&#192;S&#156;&#244;&#131;           > C0 53 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000183F49C4C40, 16 bytes long.
 Data: < S&#156;&#244;&#131;           > 98 53 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000183F49C4C90, 16 bytes long.
 Data: <pS&#156;&#244;&#131;           > 70 53 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000183F49BE970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000183F49C4B50, 16 bytes long.
 Data: <&#232;?&#156;&#244;&#131;           > E8 3F 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000183F49BCAD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000183F49C4DD0, 16 bytes long.
 Data: <&#192;?&#156;&#244;&#131;           > C0 3F 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000183F49C4BF0, 16 bytes long.
 Data: < ?&#156;&#244;&#131;           > 98 3F 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000183F49C4B00, 16 bytes long.
 Data: <p?&#156;&#244;&#131;           > 70 3F 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000183F49C4A60, 16 bytes long.
 Data: <H?&#156;&#244;&#131;           > 48 3F 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000183F49C45B0, 16 bytes long.
 Data: < ?&#156;&#244;&#131;           > 20 3F 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000183F49C4510, 16 bytes long.
 Data: <&#248;>&#156;&#244;&#131;           > F8 3E 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000183F49BD5B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000183F49C48D0, 16 bytes long.
 Data: <&#208;>&#156;&#244;&#131;           > D0 3E 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000183F49C3ED0, 320 bytes long.
 Data: <&#208;H&#156;&#244;&#131;   &#176;&#213;&#155;&#244;&#131;   > D0 48 9C F4 83 01 00 00 B0 D5 9B F4 83 01 00 00 
{270} normal block at 0x00000183F49C46F0, 16 bytes long.
 Data: <PS&#156;&#244;&#131;           > 50 53 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000183F49C4380, 16 bytes long.
 Data: <(S&#156;&#244;&#131;           > 28 53 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000183F49BCD10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000183F49C42E0, 16 bytes long.
 Data: < S&#156;&#244;&#131;           > 00 53 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000183F49BD430, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000183F49C4600, 16 bytes long.
 Data: <HR&#156;&#244;&#131;           > 48 52 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000183F49C4880, 16 bytes long.
 Data: < R&#156;&#244;&#131;           > 20 52 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000183F49C43D0, 16 bytes long.
 Data: <&#248;Q&#156;&#244;&#131;           > F8 51 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000183F49C4830, 16 bytes long.
 Data: <&#208;Q&#156;&#244;&#131;           > D0 51 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000183F49C4BA0, 16 bytes long.
 Data: <&#168;Q&#156;&#244;&#131;           > A8 51 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000183F49C4CE0, 16 bytes long.
 Data: < Q&#156;&#244;&#131;           > 80 51 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000183F49C4470, 16 bytes long.
 Data: <&#240;&#236;&#155;&#244;&#131;           > F0 EC 9B F4 83 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000183F49BECF0, 40 bytes long.
 Data: <pD&#156;&#244;&#131;   &#224;&#219;K&#246;&#131;   > 70 44 9C F4 83 01 00 00 E0 DB 4B F6 83 01 00 00 
{256} normal block at 0x00000183F49C4290, 16 bytes long.
 Data: <`Q&#156;&#244;&#131;           > 60 51 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000183F49C4AB0, 16 bytes long.
 Data: <8Q&#156;&#244;&#131;           > 38 51 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000183F49BCB90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000183F49C4240, 16 bytes long.
 Data: < Q&#156;&#244;&#131;           > 10 51 9C F4 83 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000183F49C5110, 992 bytes long.
 Data: <@B&#156;&#244;&#131;    &#203;&#155;&#244;&#131;   > 40 42 9C F4 83 01 00 00 90 CB 9B F4 83 01 00 00 
{88} normal block at 0x00000183F49BD130, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000183F49B7C80, 16 bytes long.
 Data: < &#233;&#155;&#244;&#131;           > 00 E9 9B F4 83 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000183F49BE900, 40 bytes long.
 Data: < |&#155;&#244;&#131;   0&#209;&#155;&#244;&#131;   > 80 7C 9B F4 83 01 00 00 30 D1 9B F4 83 01 00 00 
{65} normal block at 0x00000183F49B8680, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000183F49B7AA0, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000183F49B8220, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000183F49B7A50, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000183F49B7D20, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000183F49B7A00, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000183F49B82C0, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000183F49B84A0, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000183F49B8450, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000183F49B7D70, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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