Task 38655178

Name test_561-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND2476_0
Workunit 31598955
Created 24 Oct 2026, 8:32:37 UTC
Sent 24 Oct 2026, 8:33:01 UTC
Report deadline 29 Oct 2026, 8:33:01 UTC
Received 24 Oct 2026, 10:02:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654477
Run time 41 min 52 sec
CPU time 38 min 28 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 707.54 MB
Peak swap size 6.75 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:21:20 (6288): wrapper (7.9.26016): starting
11:21:20 (6288): 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
11:21:22 (6288): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:21:22 (6288): 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\24\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\24\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
12:01:27 (6288): C:/Windows/system32/cmd.exe exited; CPU time 2308.921875
12:01:27 (6288): 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: 52000135 bytes.
Dumping objects ->
{3835270} normal block at 0x00000171972A3EE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000171972A37E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000017195584C60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x0000017195584F70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000017195584B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000017197218BA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001719722E9D0, 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) : {3835181} normal block at 0x000001719557F5A0, 8 bytes long.
 Data: <  Q&#149;q   > 00 00 51 95 71 01 00 00 
{3834562} normal block at 0x000001719722EDF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001719557F6E0, 8 bytes long.
 Data: <&#176;&#227; &#151;q   > B0 E3 0C 97 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000171955816B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017195576B90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000171955857E0, 16 bytes long.
 Data: <HhX&#149;q           > 48 68 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017195585D80, 16 bytes long.
 Data: < hX&#149;q           > 20 68 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017195580740, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000017195585BA0, 16 bytes long.
 Data: <&#248;gX&#149;q           > F8 67 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017195585A10, 16 bytes long.
 Data: <&#208;gX&#149;q           > D0 67 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017195585C40, 16 bytes long.
 Data: <&#168;gX&#149;q           > A8 67 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017195586230, 16 bytes long.
 Data: < gX&#149;q           > 80 67 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017195584D40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000017195585D30, 16 bytes long.
 Data: <&#232;&#231;W&#149;q           > E8 E7 57 95 71 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000171955806E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000171955856A0, 16 bytes long.
 Data: <&#192;&#231;W&#149;q           > C0 E7 57 95 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000171955855B0, 16 bytes long.
 Data: < &#231;W&#149;q           > 98 E7 57 95 71 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017195585E20, 16 bytes long.
 Data: <p&#231;W&#149;q           > 70 E7 57 95 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017195585650, 16 bytes long.
 Data: <H&#231;W&#149;q           > 48 E7 57 95 71 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017195585830, 16 bytes long.
 Data: < &#231;W&#149;q           > 20 E7 57 95 71 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000171955861E0, 16 bytes long.
 Data: <&#248;&#230;W&#149;q           > F8 E6 57 95 71 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001719557FCC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000171955856F0, 16 bytes long.
 Data: <&#208;&#230;W&#149;q           > D0 E6 57 95 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001719557E6D0, 320 bytes long.
 Data: <&#240;VX&#149;q   &#192;&#252;W&#149;q   > F0 56 58 95 71 01 00 00 C0 FC 57 95 71 01 00 00 
{274} normal block at 0x0000017195585920, 16 bytes long.
 Data: <`gX&#149;q           > 60 67 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017195586370, 16 bytes long.
 Data: <8gX&#149;q           > 38 67 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017195580500, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000171955864B0, 16 bytes long.
 Data: < gX&#149;q           > 10 67 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001719557FFC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000017195586320, 16 bytes long.
 Data: <XfX&#149;q           > 58 66 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017195585970, 16 bytes long.
 Data: <0fX&#149;q           > 30 66 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017195585740, 16 bytes long.
 Data: < fX&#149;q           > 08 66 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000171955859C0, 16 bytes long.
 Data: <&#224;eX&#149;q           > E0 65 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017195585FB0, 16 bytes long.
 Data: <&#184;eX&#149;q           > B8 65 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017195585DD0, 16 bytes long.
 Data: < eX&#149;q           > 90 65 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017195586140, 16 bytes long.
 Data: <PPX&#149;q           > 50 50 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017195585050, 40 bytes long.
 Data: <@aX&#149;q   &#160;&#139;!&#151;q   > 40 61 58 95 71 01 00 00 A0 8B 21 97 71 01 00 00 
{260} normal block at 0x0000017195586190, 16 bytes long.
 Data: <peX&#149;q           > 70 65 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017195585560, 16 bytes long.
 Data: <HeX&#149;q           > 48 65 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000171955802C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000017195585600, 16 bytes long.
 Data: < eX&#149;q           > 20 65 58 95 71 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017195586520, 992 bytes long.
 Data: < VX&#149;q   &#192; X&#149;q   > 00 56 58 95 71 01 00 00 C0 02 58 95 71 01 00 00 
{92} normal block at 0x000001719557FC60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001719557F280, 16 bytes long.
 Data: <P&#231;V&#149;q           > 50 E7 56 95 71 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001719556E750, 40 bytes long.
 Data: < &#242;W&#149;q   `&#252;W&#149;q   > 80 F2 57 95 71 01 00 00 60 FC 57 95 71 01 00 00 
{69} normal block at 0x000001719557EC90, 16 bytes long.
 Data: < &#234;k!&#246;           > 80 EA 6B 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001719557EEC0, 16 bytes long.
 Data: <@&#233;k!&#246;           > 40 E9 6B 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001719557EAB0, 16 bytes long.
 Data: <&#248;Wh!&#246;           > F8 57 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001719557EA60, 16 bytes long.
 Data: <&#216;Wh!&#246;           > D8 57 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001719557F320, 16 bytes long.
 Data: <P h!&#246;           > 50 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001719557EA10, 16 bytes long.
 Data: <0 h!&#246;           > 30 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001719557F1E0, 16 bytes long.
 Data: <&#224; h!&#246;           > E0 02 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001719557F140, 16 bytes long.
 Data: <  h!&#246;           > 10 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001719557F0F0, 16 bytes long.
 Data: <p h!&#246;           > 70 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001719557F730, 16 bytes long.
 Data: < &#192;f!&#246;           > 18 C0 66 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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