Task 38671738

Name test_350-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND1147_0
Workunit 31613926
Created 25 Oct 2026, 21:25:22 UTC
Sent 25 Oct 2026, 21:25:24 UTC
Report deadline 30 Oct 2026, 21:25:24 UTC
Received 25 Oct 2026, 21:58:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606178
Run time 31 min 47 sec
CPU time 30 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.25 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
22:26:42 (25980): wrapper (7.9.26016): starting
22:26:42 (25980): 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
22:26:44 (25980): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:26:44 (25980): 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\4\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\4\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
22:57:21 (25980): C:/Windows/system32/cmd.exe exited; CPU time 1824.484375
22:57:21 (25980): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 38333375 bytes.
Dumping objects ->
{3835262} normal block at 0x000001F7A121AFA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000001F7A121AF30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001F7A121B780, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x000001F7A121AE50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001F7A121B080, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000001F7A2E8AC90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835174} normal block at 0x000001F7A11EF490, 8 bytes long.
 Data: <   &#161;&#247;   > 00 00 1C A1 F7 01 00 00 
{3833967} normal block at 0x000001F7A11EF3A0, 8 bytes long.
 Data: <@x&#238;&#162;&#247;   > 40 78 EE A2 F7 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001F7A11F3260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001F7A11E8700, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001F7A11F7AC0, 16 bytes long.
 Data: <&#184;&#135; &#161;&#247;           > B8 87 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F7A11F7FC0, 16 bytes long.
 Data: < &#135; &#161;&#247;           > 90 87 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F7A11F1A50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001F7A11F7E30, 16 bytes long.
 Data: <h&#135; &#161;&#247;           > 68 87 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F7A11F8380, 16 bytes long.
 Data: <@&#135; &#161;&#247;           > 40 87 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F7A11F76B0, 16 bytes long.
 Data: < &#135; &#161;&#247;           > 18 87 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F7A11F7C50, 16 bytes long.
 Data: <&#240;&#134; &#161;&#247;           > F0 86 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F7A11F5CE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001F7A11F7A70, 16 bytes long.
 Data: <   &#161;&#247;           > 98 04 1E A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F7A11F2050, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001F7A11F7D90, 16 bytes long.
 Data: <p  &#161;&#247;           > 70 04 1E A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F7A11F81F0, 16 bytes long.
 Data: <H  &#161;&#247;           > 48 04 1E A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F7A11F81A0, 16 bytes long.
 Data: <   &#161;&#247;           > 20 04 1E A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F7A11F7A20, 16 bytes long.
 Data: <&#248;  &#161;&#247;           > F8 03 1E A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F7A11F79D0, 16 bytes long.
 Data: <&#208;  &#161;&#247;           > D0 03 1E A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F7A11F7980, 16 bytes long.
 Data: <&#168;  &#161;&#247;           > A8 03 1E A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F7A11F2290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001F7A11F8150, 16 bytes long.
 Data: <   &#161;&#247;           > 80 03 1E A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F7A11E0380, 320 bytes long.
 Data: <P  &#161;&#247;    " &#161;&#247;   > 50 81 1F A1 F7 01 00 00 90 22 1F A1 F7 01 00 00 
{279} normal block at 0x000001F7A11F7F70, 16 bytes long.
 Data: <&#208;&#134; &#161;&#247;           > D0 86 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F7A11F7930, 16 bytes long.
 Data: <&#168;&#134; &#161;&#247;           > A8 86 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F7A11F21D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001F7A11F77A0, 16 bytes long.
 Data: < &#134; &#161;&#247;           > 80 86 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F7A11F2590, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001F7A11F78E0, 16 bytes long.
 Data: <&#200;&#133; &#161;&#247;           > C8 85 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F7A11F7700, 16 bytes long.
 Data: <&#160;&#133; &#161;&#247;           > A0 85 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F7A11F7750, 16 bytes long.
 Data: <x&#133; &#161;&#247;           > 78 85 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F7A11F77F0, 16 bytes long.
 Data: <P&#133; &#161;&#247;           > 50 85 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F7A11F7840, 16 bytes long.
 Data: <(&#133; &#161;&#247;           > 28 85 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F7A11F8240, 16 bytes long.
 Data: < &#133; &#161;&#247;           > 00 85 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F7A11F7DE0, 16 bytes long.
 Data: <0^ &#161;&#247;           > 30 5E 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F7A11F5E30, 40 bytes long.
 Data: <&#224;} &#161;&#247;    &#172;&#232;&#162;&#247;   > E0 7D 1F A1 F7 01 00 00 90 AC E8 A2 F7 01 00 00 
{265} normal block at 0x000001F7A11F8010, 16 bytes long.
 Data: <&#224;&#132; &#161;&#247;           > E0 84 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F7A11F7660, 16 bytes long.
 Data: <&#184;&#132; &#161;&#247;           > B8 84 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F7A11F24D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001F7A11F74D0, 16 bytes long.
 Data: < &#132; &#161;&#247;           > 90 84 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F7A11F8490, 992 bytes long.
 Data: <&#208;t &#161;&#247;   &#208;$ &#161;&#247;   > D0 74 1F A1 F7 01 00 00 D0 24 1F A1 F7 01 00 00 
{97} normal block at 0x000001F7A11F2890, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001F7A11EFA80, 16 bytes long.
 Data: <&#160;^ &#161;&#247;           > A0 5E 1F A1 F7 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001F7A11F5EA0, 40 bytes long.
 Data: < &#250; &#161;&#247;    ( &#161;&#247;   > 80 FA 1E A1 F7 01 00 00 90 28 1F A1 F7 01 00 00 
{74} normal block at 0x000001F7A11F01B0, 16 bytes long.
 Data: < &#234;OD&#247;           > 80 EA 4F 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001F7A11EF350, 16 bytes long.
 Data: <@&#233;OD&#247;           > 40 E9 4F 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F7A11EF3F0, 16 bytes long.
 Data: <&#248;WLD&#247;           > F8 57 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F7A11EFA30, 16 bytes long.
 Data: <&#216;WLD&#247;           > D8 57 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F7A11EF440, 16 bytes long.
 Data: <P LD&#247;           > 50 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F7A11EFF80, 16 bytes long.
 Data: <0 LD&#247;           > 30 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F7A11EF850, 16 bytes long.
 Data: <&#224; LD&#247;           > E0 02 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F7A11EF4E0, 16 bytes long.
 Data: <  LD&#247;           > 10 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F7A11EF9E0, 16 bytes long.
 Data: <p LD&#247;           > 70 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F7A11EFDA0, 16 bytes long.
 Data: < &#192;JD&#247;           > 18 C0 4A 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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