Task 38681278

Name test_440-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4444_0
Workunit 31622950
Created 27 Oct 2026, 3:22:07 UTC
Sent 27 Oct 2026, 3:22:13 UTC
Report deadline 1 Nov 2026, 3:22:13 UTC
Received 27 Oct 2026, 3:49:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 26 min 13 sec
CPU time 24 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.89 MB
Peak swap size 6.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:23:22 (20732): wrapper (7.9.26016): starting
23:23:22 (20732): 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
23:23:23 (20732): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:23:23 (20732): 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
23:48:43 (20732): C:/Windows/system32/cmd.exe exited; CPU time 1496.312500
23:48:43 (20732): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 26788313 bytes.
Dumping objects ->
{3835542} normal block at 0x0000013454345ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x0000013454345E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x0000013454346250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x00000134543461E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x0000013454345FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x0000013456055D50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x00000134560704F0, 102 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) : {3835453} normal block at 0x000001345433ECD0, 8 bytes long.
 Data: <  yT4   > 00 00 79 54 34 01 00 00 
{3834690} normal block at 0x00000134560709C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001345433F540, 8 bytes long.
 Data: < &#222; V4   > 20 DE 0E 56 34 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000013454340F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013454335A40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000134543454D0, 16 bytes long.
 Data: <&#232;Z4T4           > E8 5A 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013454344E40, 16 bytes long.
 Data: <&#192;Z4T4           > C0 5A 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001345433D420, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000013454344BC0, 16 bytes long.
 Data: < Z4T4           > 98 5A 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013454345750, 16 bytes long.
 Data: <pZ4T4           > 70 5A 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013454344B20, 16 bytes long.
 Data: <HZ4T4           > 48 5A 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013454344DA0, 16 bytes long.
 Data: < Z4T4           > 20 5A 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013454346020, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000134543456B0, 16 bytes long.
 Data: <8&#186;2T4           > 38 BA 32 54 34 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001345433D1E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000013454344940, 16 bytes long.
 Data: < &#186;2T4           > 10 BA 32 54 34 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013454345340, 16 bytes long.
 Data: <&#232;&#185;2T4           > E8 B9 32 54 34 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013454344F30, 16 bytes long.
 Data: <&#192;&#185;2T4           > C0 B9 32 54 34 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000134543448F0, 16 bytes long.
 Data: < &#185;2T4           > 98 B9 32 54 34 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013454344AD0, 16 bytes long.
 Data: <p&#185;2T4           > 70 B9 32 54 34 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013454344C10, 16 bytes long.
 Data: <H&#185;2T4           > 48 B9 32 54 34 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001345433CBE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000013454345700, 16 bytes long.
 Data: < &#185;2T4           > 20 B9 32 54 34 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001345432B920, 320 bytes long.
 Data: < W4T4   &#224;&#203;3T4   > 00 57 34 54 34 01 00 00 E0 CB 33 54 34 01 00 00 
{275} normal block at 0x0000013454344FD0, 16 bytes long.
 Data: < Z4T4           > 00 5A 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013454345610, 16 bytes long.
 Data: <&#216;Y4T4           > D8 59 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001345433D900, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000134543452F0, 16 bytes long.
 Data: <&#176;Y4T4           > B0 59 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001345433CB80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000013454344B70, 16 bytes long.
 Data: <&#248;X4T4           > F8 58 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000134543452A0, 16 bytes long.
 Data: <&#208;X4T4           > D0 58 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013454345020, 16 bytes long.
 Data: <&#168;X4T4           > A8 58 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000134543448A0, 16 bytes long.
 Data: < X4T4           > 80 58 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013454345160, 16 bytes long.
 Data: <XX4T4           > 58 58 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013454344A30, 16 bytes long.
 Data: <0X4T4           > 30 58 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000134543449E0, 16 bytes long.
 Data: <&#240;&#247;2T4           > F0 F7 32 54 34 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001345432F7F0, 40 bytes long.
 Data: <&#224;I4T4   P] V4   > E0 49 34 54 34 01 00 00 50 5D 05 56 34 01 00 00 
{261} normal block at 0x0000013454345110, 16 bytes long.
 Data: < X4T4           > 10 58 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013454344800, 16 bytes long.
 Data: <&#232;W4T4           > E8 57 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001345433CF40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000013454344EE0, 16 bytes long.
 Data: <&#192;W4T4           > C0 57 34 54 34 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000134543457C0, 992 bytes long.
 Data: <&#224;N4T4   @&#207;3T4   > E0 4E 34 54 34 01 00 00 40 CF 33 54 34 01 00 00 
{93} normal block at 0x000001345433D8A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001345433F130, 16 bytes long.
 Data: <&#160;&#203;2T4           > A0 CB 32 54 34 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001345432CBA0, 40 bytes long.
 Data: <0&#241;3T4   &#160;&#216;3T4   > 30 F1 33 54 34 01 00 00 A0 D8 33 54 34 01 00 00 
{70} normal block at 0x000001345433ED70, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001345433E960, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001345433F0E0, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001345433EE10, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001345433E910, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001345433E870, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001345433F3B0, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001345433E7D0, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001345433EF50, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001345433EDC0, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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