Task 38699945

Name test_913-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4979_0
Workunit 31640291
Created 6 Nov 2026, 9:06:46 UTC
Sent 6 Nov 2026, 9:06:47 UTC
Report deadline 11 Nov 2026, 9:06:47 UTC
Received 6 Nov 2026, 10:11:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652185
Run time 54 min 51 sec
CPU time 53 min 30 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 732.73 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>
10:16:42 (20680): wrapper (7.9.26016): starting
10:16:42 (20680): 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
10:16:43 (20680): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:16:43 (20680): 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
11:11:00 (20680): C:/Windows/system32/cmd.exe exited; CPU time 3210.000000
11:11:00 (20680): 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: 50774475 bytes.
Dumping objects ->
{3835231} normal block at 0x000001D5635893D0, 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 0x000001D563589980, 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 0x000001D563589360, 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 0x000001D563588D40, 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 0x000001D563588E20, 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 0x000001D56516A8C0, 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 0x000001D56507DF70, 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 0x000001D56355D870, 8 bytes long.
 Data: <   c&#213;   > 00 00 88 63 D5 01 00 00 
{3834545} normal block at 0x000001D56507EA00, 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 0x000001D56355E090, 8 bytes long.
 Data: <&#208;&#195;Xc&#213;   > D0 C3 58 63 D5 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D5635613B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D563556160, 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 0x000001D563566190, 16 bytes long.
 Data: <&#200;XVc&#213;           > C8 58 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D563565C40, 16 bytes long.
 Data: <&#160;XVc&#213;           > A0 58 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D56355F2A0, 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 0x000001D5635665A0, 16 bytes long.
 Data: <xXVc&#213;           > 78 58 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D5635660A0, 16 bytes long.
 Data: <PXVc&#213;           > 50 58 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D563565A60, 16 bytes long.
 Data: <(XVc&#213;           > 28 58 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D563565A10, 16 bytes long.
 Data: < XVc&#213;           > 00 58 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D563563D20, 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 0x000001D563565B00, 16 bytes long.
 Data: < &#241;Tc&#213;           > 18 F1 54 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D56355ECA0, 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 0x000001D5635665F0, 16 bytes long.
 Data: <&#240;&#240;Tc&#213;           > F0 F0 54 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D563566000, 16 bytes long.
 Data: <&#200;&#240;Tc&#213;           > C8 F0 54 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D563565CE0, 16 bytes long.
 Data: <&#160;&#240;Tc&#213;           > A0 F0 54 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D5635660F0, 16 bytes long.
 Data: <x&#240;Tc&#213;           > 78 F0 54 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D563565F10, 16 bytes long.
 Data: <P&#240;Tc&#213;           > 50 F0 54 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D563565D30, 16 bytes long.
 Data: <(&#240;Tc&#213;           > 28 F0 54 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D56355F000, 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 0x000001D563565DD0, 16 bytes long.
 Data: < &#240;Tc&#213;           > 00 F0 54 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D56354F000, 320 bytes long.
 Data: <&#208;]Vc&#213;    &#240;Uc&#213;   > D0 5D 56 63 D5 01 00 00 00 F0 55 63 D5 01 00 00 
{277} normal block at 0x000001D5635662D0, 16 bytes long.
 Data: <&#224;WVc&#213;           > E0 57 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D563566550, 16 bytes long.
 Data: <&#184;WVc&#213;           > B8 57 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D56355F420, 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 0x000001D563566320, 16 bytes long.
 Data: < WVc&#213;           > 90 57 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D56355F240, 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 0x000001D563566410, 16 bytes long.
 Data: <&#216;VVc&#213;           > D8 56 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D563566500, 16 bytes long.
 Data: <&#176;VVc&#213;           > B0 56 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D5635664B0, 16 bytes long.
 Data: < VVc&#213;           > 88 56 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D5635666E0, 16 bytes long.
 Data: <`VVc&#213;           > 60 56 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D563566460, 16 bytes long.
 Data: <8VVc&#213;           > 38 56 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D56355DC30, 16 bytes long.
 Data: < VVc&#213;           > 10 56 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D56355DF00, 16 bytes long.
 Data: <&#176;<Vc&#213;           > B0 3C 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D563563CB0, 40 bytes long.
 Data: < &#223;Uc&#213;   &#192;&#168; e&#213;   > 00 DF 55 63 D5 01 00 00 C0 A8 16 65 D5 01 00 00 
{263} normal block at 0x000001D56355D410, 16 bytes long.
 Data: <&#240;UVc&#213;           > F0 55 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D56355D960, 16 bytes long.
 Data: <&#200;UVc&#213;           > C8 55 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D56355FA20, 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 0x000001D56355D550, 16 bytes long.
 Data: <&#160;UVc&#213;           > A0 55 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D5635655A0, 992 bytes long.
 Data: <P&#213;Uc&#213;    &#250;Uc&#213;   > 50 D5 55 63 D5 01 00 00 20 FA 55 63 D5 01 00 00 
{95} normal block at 0x000001D56355F4E0, 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 0x000001D56355D780, 16 bytes long.
 Data: <09Vc&#213;           > 30 39 56 63 D5 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D563563930, 40 bytes long.
 Data: < &#215;Uc&#213;   &#224;&#244;Uc&#213;   > 80 D7 55 63 D5 01 00 00 E0 F4 55 63 D5 01 00 00 
{72} normal block at 0x000001D56355DD70, 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 0x000001D56355D2D0, 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 0x000001D56355E0E0, 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 0x000001D56355DDC0, 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 0x000001D56355D820, 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 0x000001D56355DD20, 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 0x000001D56355E220, 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 0x000001D56355E180, 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 0x000001D56355DB40, 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 0x000001D56355D5A0, 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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