Task 38654018

Name test_729-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND7950_0
Workunit 31597874
Created 24 Oct 2026, 6:33:27 UTC
Sent 24 Oct 2026, 6:36:47 UTC
Report deadline 29 Oct 2026, 6:36:47 UTC
Received 24 Oct 2026, 9:22:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652159
Run time 1 hours 41 min 20 sec
CPU time 1 hours 24 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.95 MB
Peak swap size 7.00 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:10:40 (27400): wrapper (7.9.26016): starting
10:10:40 (27400): 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
10:10:48 (27400): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:10:48 (27400): 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
11:50:21 (27400): C:/Windows/system32/cmd.exe exited; CPU time 5088.859375
11:50:21 (27400): 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: 103709283 bytes.
Dumping objects ->
{3835634} normal block at 0x0000022A19DD0EB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835623} normal block at 0x0000022A19DD04A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835612} normal block at 0x0000022A19DD0740, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835601} normal block at 0x0000022A19DD0B30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x0000022A18193B20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835559} normal block at 0x0000022A19E19510, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x0000022A19E327A0, 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) : {3835545} normal block at 0x0000022A18191370, 8 bytes long.
 Data: <  Y *   > 00 00 59 18 2A 02 00 00 
{3834730} normal block at 0x0000022A19E324E0, 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 0x0000022A18191550, 8 bytes long.
 Data: <&#192;x&#231; *   > C0 78 E7 19 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022A1818CF00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022A18186E60, 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 0x0000022A18199FC0, 16 bytes long.
 Data: <&#232;&#169;  *           > E8 A9 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022A1819A650, 16 bytes long.
 Data: <&#192;&#169;  *           > C0 A9 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022A181957C0, 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 0x0000022A1819A290, 16 bytes long.
 Data: < &#169;  *           > 98 A9 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022A18199CA0, 16 bytes long.
 Data: <p&#169;  *           > 70 A9 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022A181999D0, 16 bytes long.
 Data: <H&#169;  *           > 48 A9 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022A18199C00, 16 bytes long.
 Data: < &#169;  *           > 20 A9 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022A18193A40, 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 0x0000022A181998E0, 16 bytes long.
 Data: < B  *           > 18 42 18 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022A18195760, 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 0x0000022A1819A240, 16 bytes long.
 Data: <&#240;A  *           > F0 41 18 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A1819A1F0, 16 bytes long.
 Data: <&#200;A  *           > C8 41 18 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022A18199B60, 16 bytes long.
 Data: <&#160;A  *           > A0 41 18 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022A18199B10, 16 bytes long.
 Data: <xA  *           > 78 41 18 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022A1819A380, 16 bytes long.
 Data: <PA  *           > 50 41 18 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022A18199AC0, 16 bytes long.
 Data: <(A  *           > 28 41 18 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022A18195640, 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 0x0000022A1819A600, 16 bytes long.
 Data: < A  *           > 00 41 18 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022A18184100, 320 bytes long.
 Data: < &#166;  *   @V  *   > 00 A6 19 18 2A 02 00 00 40 56 19 18 2A 02 00 00 
{274} normal block at 0x0000022A18199980, 16 bytes long.
 Data: < &#169;  *           > 00 A9 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022A18199A70, 16 bytes long.
 Data: <&#216;&#168;  *           > D8 A8 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022A18194DA0, 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 0x0000022A181997A0, 16 bytes long.
 Data: <&#176;&#168;  *           > B0 A8 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022A18194FE0, 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 0x0000022A1819A470, 16 bytes long.
 Data: <&#248;&#167;  *           > F8 A7 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A1819A560, 16 bytes long.
 Data: <&#208;&#167;  *           > D0 A7 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022A1819A510, 16 bytes long.
 Data: <&#168;&#167;  *           > A8 A7 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022A1819A1A0, 16 bytes long.
 Data: < &#167;  *           > 80 A7 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022A1819A2E0, 16 bytes long.
 Data: <X&#167;  *           > 58 A7 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022A1819A060, 16 bytes long.
 Data: <0&#167;  *           > 30 A7 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022A18199890, 16 bytes long.
 Data: < ;  *           > 90 3B 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022A18193B90, 40 bytes long.
 Data: <    *    &#149;&#225; *   > 90 98 19 18 2A 02 00 00 10 95 E1 19 2A 02 00 00 
{260} normal block at 0x0000022A18199D90, 16 bytes long.
 Data: < &#167;  *           > 10 A7 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022A1819A150, 16 bytes long.
 Data: <&#232;&#166;  *           > E8 A6 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022A181958E0, 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 0x0000022A18199BB0, 16 bytes long.
 Data: <&#192;&#166;  *           > C0 A6 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022A1819A6C0, 992 bytes long.
 Data: <&#176;&#155;  *   &#224;X  *   > B0 9B 19 18 2A 02 00 00 E0 58 19 18 2A 02 00 00 
{92} normal block at 0x0000022A18195460, 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 0x0000022A18191640, 16 bytes long.
 Data: < 5  *           > 00 35 19 18 2A 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000022A18193500, 40 bytes long.
 Data: <@   *   `T  *   > 40 16 19 18 2A 02 00 00 60 54 19 18 2A 02 00 00 
{69} normal block at 0x0000022A18191500, 16 bytes long.
 Data: < &#234;4&#173;&#247;           > 80 EA 34 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022A181915F0, 16 bytes long.
 Data: <@&#233;4&#173;&#247;           > 40 E9 34 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022A18191DC0, 16 bytes long.
 Data: <&#248;W1&#173;&#247;           > F8 57 31 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022A181912D0, 16 bytes long.
 Data: <&#216;W1&#173;&#247;           > D8 57 31 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022A18191B90, 16 bytes long.
 Data: <P 1&#173;&#247;           > 50 04 31 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022A18191C30, 16 bytes long.
 Data: <0 1&#173;&#247;           > 30 04 31 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022A18191F50, 16 bytes long.
 Data: <&#224; 1&#173;&#247;           > E0 02 31 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022A18191B40, 16 bytes long.
 Data: <  1&#173;&#247;           > 10 04 31 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022A181914B0, 16 bytes long.
 Data: <p 1&#173;&#247;           > 70 04 31 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022A18191460, 16 bytes long.
 Data: < &#192;/&#173;&#247;           > 18 C0 2F AD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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