Task 38653661

Name test_384-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND7984_0
Workunit 31597576
Created 24 Oct 2026, 5:59:30 UTC
Sent 24 Oct 2026, 6:07:05 UTC
Report deadline 29 Oct 2026, 6:07:05 UTC
Received 24 Oct 2026, 10:29:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631047
Run time 2 hours 14 min 5 sec
CPU time 1 hours 40 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,933.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.50 MB
Peak swap size 9.21 GB
Peak disk usage 3.66 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:30:32 (21108): wrapper (7.9.26016): starting
15:30:32 (21108): 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
15:30:38 (21108): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:30:38 (21108): 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
17:42:41 (21108): C:/Windows/system32/cmd.exe exited; CPU time 6010.406250
17:42:41 (21108): 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: 105103785 bytes.
Dumping objects ->
{3835555} normal block at 0x0000021CA59A4AA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x0000021CA59A4A30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x0000021CA59A4950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x0000021CA59A4640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x0000021CA59A4D40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x0000021CA7AEA3E0, 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) : {3835467} normal block at 0x0000021CA599E8C0, 8 bytes long.
 Data: <   &#165;    > 00 00 E8 A5 1C 02 00 00 
{3834045} normal block at 0x0000021CA599E190, 8 bytes long.
 Data: <&#176; [&#167;    > B0 E8 5B A7 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000021CA59A0A70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021CA5995750, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000021CA59A50D0, 16 bytes long.
 Data: <8a &#165;            > 38 61 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021CA59A54E0, 16 bytes long.
 Data: < a &#165;            > 10 61 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021CA599F2A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000021CA59A53F0, 16 bytes long.
 Data: < ` &#165;            > E8 60 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021CA59A59E0, 16 bytes long.
 Data: <&#192;` &#165;            > C0 60 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021CA59A5940, 16 bytes long.
 Data: < ` &#165;            > 98 60 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021CA59A5080, 16 bytes long.
 Data: <p` &#165;            > 70 60 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021CA59A4720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000021CA59A58F0, 16 bytes long.
 Data: <x  &#165;            > 78 EB 98 A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021CA599F0C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000021CA59A52B0, 16 bytes long.
 Data: <P  &#165;            > 50 EB 98 A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021CA59A56C0, 16 bytes long.
 Data: <(  &#165;            > 28 EB 98 A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021CA59A55D0, 16 bytes long.
 Data: <   &#165;            > 00 EB 98 A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021CA59A58A0, 16 bytes long.
 Data: <&#216;  &#165;            > D8 EA 98 A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021CA59A5850, 16 bytes long.
 Data: <&#176;  &#165;            > B0 EA 98 A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021CA59A4F40, 16 bytes long.
 Data: <   &#165;            > 88 EA 98 A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021CA599F3C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000021CA59A5530, 16 bytes long.
 Data: <`  &#165;            > 60 EA 98 A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021CA598EA60, 320 bytes long.
 Data: <0U &#165;    &#192;  &#165;    > 30 55 9A A5 1C 02 00 00 C0 F3 99 A5 1C 02 00 00 
{273} normal block at 0x0000021CA59A5990, 16 bytes long.
 Data: <P` &#165;            > 50 60 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021CA59A5030, 16 bytes long.
 Data: <(` &#165;            > 28 60 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021CA599F780, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000021CA59A5710, 16 bytes long.
 Data: < ` &#165;            > 00 60 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021CA599F1E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000021CA59A5800, 16 bytes long.
 Data: <H_ &#165;            > 48 5F 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021CA59A5580, 16 bytes long.
 Data: < _ &#165;            > 20 5F 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021CA59A5C10, 16 bytes long.
 Data: < ^ &#165;            > F8 5E 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021CA59A5BC0, 16 bytes long.
 Data: <&#208;^ &#165;            > D0 5E 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021CA59A5B70, 16 bytes long.
 Data: <&#168;^ &#165;            > A8 5E 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021CA59A5670, 16 bytes long.
 Data: < ^ &#165;            > 80 5E 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021CA59A5760, 16 bytes long.
 Data: <&#176;F &#165;            > B0 46 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021CA59A46B0, 40 bytes long.
 Data: <`W &#165;     &#163;&#174;&#167;    > 60 57 9A A5 1C 02 00 00 E0 A3 AE A7 1C 02 00 00 
{259} normal block at 0x0000021CA59A5B20, 16 bytes long.
 Data: <`^ &#165;            > 60 5E 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021CA59A5A80, 16 bytes long.
 Data: <8^ &#165;            > 38 5E 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021CA599F300, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000021CA59A5CB0, 16 bytes long.
 Data: < ^ &#165;            > 10 5E 9A A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021CA59A5E10, 992 bytes long.
 Data: <&#176;\ &#165;       &#165;    > B0 5C 9A A5 1C 02 00 00 00 F3 99 A5 1C 02 00 00 
{91} normal block at 0x0000021CA599F600, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000021CA599E870, 16 bytes long.
 Data: <   &#165;            > 80 E7 98 A5 1C 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000021CA598E780, 40 bytes long.
 Data: <p  &#165;       &#165;    > 70 E8 99 A5 1C 02 00 00 00 F6 99 A5 1C 02 00 00 
{66} normal block at 0x0000021CA599EAA0, 16 bytes long.
 Data: <                > 80 EA 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021CA599E820, 16 bytes long.
 Data: <@               > 40 E9 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021CA599E910, 16 bytes long.
 Data: < W              > F8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021CA599E4B0, 16 bytes long.
 Data: <&#216;W              > D8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021CA599EBE0, 16 bytes long.
 Data: <P               > 50 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021CA599E640, 16 bytes long.
 Data: <0               > 30 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021CA599EB90, 16 bytes long.
 Data: <                > E0 02 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021CA599E6E0, 16 bytes long.
 Data: <                > 10 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021CA599E690, 16 bytes long.
 Data: <p               > 70 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021CA599E5A0, 16 bytes long.
 Data: < &#192;              > 18 C0 FC FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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