Task 38699920

Name test_551-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND1057_0
Workunit 31640270
Created 6 Nov 2026, 2:47:20 UTC
Sent 6 Nov 2026, 2:47:32 UTC
Report deadline 11 Nov 2026, 2:47:32 UTC
Received 6 Nov 2026, 3:59:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652185
Run time 1 hours 11 min 18 sec
CPU time 1 hours 8 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.16 MB
Peak swap size 6.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:48:17 (860): wrapper (7.9.26016): starting
03:48:17 (860): 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
03:48:18 (860): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:48:18 (860): 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
04:58:58 (860): C:/Windows/system32/cmd.exe exited; CPU time 4134.312500
04:58:58 (860): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 67974823 bytes.
Dumping objects ->
{3835231} normal block at 0x00000175128B9990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000175128B9680, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000175128B94C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x00000175128B9A70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000175128B8EA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x00000175144C6F20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x00000175143DE510, 141 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) : {3835142} normal block at 0x000001751288E140, 8 bytes long.
 Data: <  &#186; u   > 00 00 BA 12 75 01 00 00 
{3834545} normal block at 0x00000175143DE370, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001751288DB00, 8 bytes long.
 Data: <&#192;<R u   > C0 3C 52 14 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000017512891870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017512886890, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000017512896330, 16 bytes long.
 Data: < [&#137; u           > 08 5B 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000175128967E0, 16 bytes long.
 Data: <&#224;Z&#137; u           > E0 5A 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001751288F8A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000017512896150, 16 bytes long.
 Data: <&#184;Z&#137; u           > B8 5A 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017512895CA0, 16 bytes long.
 Data: < Z&#137; u           > 90 5A 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017512896AB0, 16 bytes long.
 Data: <hZ&#137; u           > 68 5A 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000175128968D0, 16 bytes long.
 Data: <@Z&#137; u           > 40 5A 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017512893C50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000017512895E80, 16 bytes long.
 Data: <&#184;&#147;  u           > B8 93 88 12 75 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001751288F000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000017512896790, 16 bytes long.
 Data: < &#147;  u           > 90 93 88 12 75 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017512896880, 16 bytes long.
 Data: <h&#147;  u           > 68 93 88 12 75 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017512895DE0, 16 bytes long.
 Data: <@&#147;  u           > 40 93 88 12 75 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000175128965B0, 16 bytes long.
 Data: < &#147;  u           > 18 93 88 12 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017512895F20, 16 bytes long.
 Data: <&#240;&#146;  u           > F0 92 88 12 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000175128964C0, 16 bytes long.
 Data: <&#200;&#146;  u           > C8 92 88 12 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001751288F0C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000017512895CF0, 16 bytes long.
 Data: <&#160;&#146;  u           > A0 92 88 12 75 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000175128892A0, 320 bytes long.
 Data: <&#240;\&#137; u   &#192;&#240;  u   > F0 5C 89 12 75 01 00 00 C0 F0 88 12 75 01 00 00 
{277} normal block at 0x0000017512895D90, 16 bytes long.
 Data: < Z&#137; u           > 20 5A 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017512896560, 16 bytes long.
 Data: <&#248;Y&#137; u           > F8 59 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001751288F4E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000017512896740, 16 bytes long.
 Data: <&#208;Y&#137; u           > D0 59 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001751288FBA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000017512896510, 16 bytes long.
 Data: < Y&#137; u           > 18 59 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017512895C50, 16 bytes long.
 Data: <&#240;X&#137; u           > F0 58 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000175128962E0, 16 bytes long.
 Data: <&#200;X&#137; u           > C8 58 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017512896240, 16 bytes long.
 Data: <&#160;X&#137; u           > A0 58 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017512895D40, 16 bytes long.
 Data: <xX&#137; u           > 78 58 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001751288E000, 16 bytes long.
 Data: <PX&#137; u           > 50 58 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001751288DCE0, 16 bytes long.
 Data: <&#224;;&#137; u           > E0 3B 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017512893BE0, 40 bytes long.
 Data: <&#224;&#220;  u    oL u   > E0 DC 88 12 75 01 00 00 20 6F 4C 14 75 01 00 00 
{263} normal block at 0x000001751288E0F0, 16 bytes long.
 Data: <0X&#137; u           > 30 58 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001751288DFB0, 16 bytes long.
 Data: < X&#137; u           > 08 58 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001751288F780, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001751288DB50, 16 bytes long.
 Data: <&#224;W&#137; u           > E0 57 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000175128957E0, 992 bytes long.
 Data: <P&#219;  u    &#247;  u   > 50 DB 88 12 75 01 00 00 80 F7 88 12 75 01 00 00 
{95} normal block at 0x000001751288F720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001751288D970, 16 bytes long.
 Data: < :&#137; u           > 20 3A 89 12 75 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000017512893A20, 40 bytes long.
 Data: <p&#217;  u    &#247;  u   > 70 D9 88 12 75 01 00 00 20 F7 88 12 75 01 00 00 
{72} normal block at 0x000001751288DEC0, 16 bytes long.
 Data: < &#234;&#130;&#156;&#246;           > 80 EA 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001751288D650, 16 bytes long.
 Data: <@&#233;&#130;&#156;&#246;           > 40 E9 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001751288DC40, 16 bytes long.
 Data: <&#248;W &#156;&#246;           > F8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001751288D560, 16 bytes long.
 Data: <&#216;W &#156;&#246;           > D8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001751288DDD0, 16 bytes long.
 Data: <P  &#156;&#246;           > 50 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001751288D880, 16 bytes long.
 Data: <0  &#156;&#246;           > 30 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001751288DBF0, 16 bytes long.
 Data: <&#224;  &#156;&#246;           > E0 02 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001751288D830, 16 bytes long.
 Data: <   &#156;&#246;           > 10 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001751288DBA0, 16 bytes long.
 Data: <p  &#156;&#246;           > 70 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001751288E190, 16 bytes long.
 Data: < &#192;}&#156;&#246;           > 18 C0 7D 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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