Task 38684135

Name test_213-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND4161_0
Workunit 31625658
Created 27 Oct 2026, 14:51:55 UTC
Sent 27 Oct 2026, 14:52:01 UTC
Report deadline 1 Nov 2026, 14:52:01 UTC
Received 27 Oct 2026, 17:22:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652253
Run time 1 hours 0 min 59 sec
CPU time 58 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,168.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.75 MB
Peak swap size 6.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:21:50 (5200): wrapper (7.9.26016): starting
17:21:50 (5200): 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
17:21:52 (5200): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:21:52 (5200): 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\13\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\13\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
18:21:08 (5200): C:/Windows/system32/cmd.exe exited; CPU time 3533.812500
18:21:08 (5200): 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: 67089553 bytes.
Dumping objects ->
{3835893} normal block at 0x0000018609726170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835882} normal block at 0x0000018609726250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835871} normal block at 0x0000018609726100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835860} normal block at 0x0000018609725FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x0000018609725F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835818} normal block at 0x000001860B3B6470, 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) : {3835805} normal block at 0x000001860971E510, 8 bytes long.
 Data: <  &#183;	&#134;   > 00 00 B7 09 86 01 00 00 
{3833957} normal block at 0x000001860971ED30, 8 bytes long.
 Data: < &#230; 	&#134;   > 20 E6 7F 09 86 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000186097204E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001860970FC20, 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 0x00000186097252B0, 16 bytes long.
 Data: <&#232;Zr	&#134;           > E8 5A 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018609724540, 16 bytes long.
 Data: <&#192;Zr	&#134;           > C0 5A 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001860971F890, 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 0x00000186097250D0, 16 bytes long.
 Data: < Zr	&#134;           > 98 5A 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000186097249F0, 16 bytes long.
 Data: <pZr	&#134;           > 70 5A 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018609724680, 16 bytes long.
 Data: <HZr	&#134;           > 48 5A 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000186097249A0, 16 bytes long.
 Data: < Zr	&#134;           > 20 5A 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018609725C30, 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 0x0000018609724C70, 16 bytes long.
 Data: <X&#181;p	&#134;           > 58 B5 70 09 86 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001860971FD10, 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 0x0000018609724400, 16 bytes long.
 Data: <0&#181;p	&#134;           > 30 B5 70 09 86 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018609725120, 16 bytes long.
 Data: < &#181;p	&#134;           > 08 B5 70 09 86 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018609724450, 16 bytes long.
 Data: <&#224;&#180;p	&#134;           > E0 B4 70 09 86 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018609724EF0, 16 bytes long.
 Data: <&#184;&#180;p	&#134;           > B8 B4 70 09 86 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018609724E50, 16 bytes long.
 Data: < &#180;p	&#134;           > 90 B4 70 09 86 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018609725080, 16 bytes long.
 Data: <h&#180;p	&#134;           > 68 B4 70 09 86 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001860971FCB0, 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 0x0000018609724E00, 16 bytes long.
 Data: <@&#180;p	&#134;           > 40 B4 70 09 86 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001860970B440, 320 bytes long.
 Data: < Nr	&#134;   &#176;&#252;q	&#134;   > 00 4E 72 09 86 01 00 00 B0 FC 71 09 86 01 00 00 
{274} normal block at 0x0000018609724720, 16 bytes long.
 Data: < Zr	&#134;           > 00 5A 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018609724A40, 16 bytes long.
 Data: <&#216;Yr	&#134;           > D8 59 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018609720130, 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 0x00000186097251C0, 16 bytes long.
 Data: <&#176;Yr	&#134;           > B0 59 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001860971F7D0, 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 0x0000018609724AE0, 16 bytes long.
 Data: <&#248;Xr	&#134;           > F8 58 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018609724D60, 16 bytes long.
 Data: <&#208;Xr	&#134;           > D0 58 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018609725210, 16 bytes long.
 Data: <&#168;Xr	&#134;           > A8 58 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018609724A90, 16 bytes long.
 Data: < Xr	&#134;           > 80 58 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018609724EA0, 16 bytes long.
 Data: <XXr	&#134;           > 58 58 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018609725030, 16 bytes long.
 Data: <0Xr	&#134;           > 30 58 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018609724860, 16 bytes long.
 Data: < &#211;p	&#134;           > 90 D3 70 09 86 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001860970D390, 40 bytes long.
 Data: <`Hr	&#134;   pd; &#134;   > 60 48 72 09 86 01 00 00 70 64 3B 0B 86 01 00 00 
{260} normal block at 0x0000018609724DB0, 16 bytes long.
 Data: < Xr	&#134;           > 10 58 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018609725350, 16 bytes long.
 Data: <&#232;Wr	&#134;           > E8 57 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018609720070, 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 0x0000018609724F90, 16 bytes long.
 Data: <&#192;Wr	&#134;           > C0 57 72 09 86 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000186097257C0, 992 bytes long.
 Data: < Or	&#134;   p r	&#134;   > 90 4F 72 09 86 01 00 00 70 00 72 09 86 01 00 00 
{92} normal block at 0x00000186097201F0, 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 0x000001860971F370, 16 bytes long.
 Data: < &#228;p	&#134;           > 10 E4 70 09 86 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001860970E410, 40 bytes long.
 Data: <p&#243;q	&#134;   &#240; r	&#134;   > 70 F3 71 09 86 01 00 00 F0 01 72 09 86 01 00 00 
{69} normal block at 0x000001860971E970, 16 bytes long.
 Data: < &#234;&#251;&#253;&#247;           > 80 EA FB FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001860971E600, 16 bytes long.
 Data: <@&#233;&#251;&#253;&#247;           > 40 E9 FB FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001860971E6A0, 16 bytes long.
 Data: <&#248;W&#248;&#253;&#247;           > F8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001860971E9C0, 16 bytes long.
 Data: <&#216;W&#248;&#253;&#247;           > D8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001860971F1E0, 16 bytes long.
 Data: <P &#248;&#253;&#247;           > 50 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001860971E830, 16 bytes long.
 Data: <0 &#248;&#253;&#247;           > 30 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001860971EE20, 16 bytes long.
 Data: <&#224; &#248;&#253;&#247;           > E0 02 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001860971F410, 16 bytes long.
 Data: <  &#248;&#253;&#247;           > 10 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001860971F000, 16 bytes long.
 Data: <p &#248;&#253;&#247;           > 70 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001860971F280, 16 bytes long.
 Data: < &#192;&#246;&#253;&#247;           > 18 C0 F6 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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