Task 38662163

Name test_584-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND7613_0
Workunit 31605434
Created 24 Oct 2026, 18:19:18 UTC
Sent 24 Oct 2026, 18:20:32 UTC
Report deadline 29 Oct 2026, 18:20:32 UTC
Received 24 Oct 2026, 22:17:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631047
Run time 2 hours 48 min 27 sec
CPU time 1 hours 26 min 36 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 749.74 MB
Peak swap size 9.21 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:42:33 (8756): wrapper (7.9.26016): starting
03:42:33 (8756): 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
03:42:38 (8756): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:42:38 (8756): 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
06:38:47 (8756): C:/Windows/system32/cmd.exe exited; CPU time 5196.218750
06:38:47 (8756): 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: 147050399 bytes.
Dumping objects ->
{3835555} normal block at 0x000001DE440C4600, 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 0x000001DE440C4590, 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 0x000001DE440C4520, 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 0x000001DE440C44B0, 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 0x000001DE440C4440, 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 0x000001DE461D7AE0, 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 0x000001DE440BE3A0, 8 bytes long.
 Data: <  ]D&#222;   > 00 00 5D 44 DE 01 00 00 
{3834045} normal block at 0x000001DE440BE1C0, 8 bytes long.
 Data: < : D&#222;   > E0 3A 0C 44 DE 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001DE440C09B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DE440B5570, 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 0x000001DE440C4A70, 16 bytes long.
 Data: < ] D&#222;           > 08 5D 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DE440C5790, 16 bytes long.
 Data: < \ D&#222;           > E0 5C 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DE440BF340, 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 0x000001DE440C51F0, 16 bytes long.
 Data: <&#184;\ D&#222;           > B8 5C 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DE440C50B0, 16 bytes long.
 Data: < \ D&#222;           > 90 5C 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DE440C4A20, 16 bytes long.
 Data: <h\ D&#222;           > 68 5C 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DE440C4CA0, 16 bytes long.
 Data: <@\ D&#222;           > 40 5C 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DE440C4280, 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 0x000001DE440C5970, 16 bytes long.
 Data: <   D&#222;           > E8 86 0B 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DE440BF400, 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 0x000001DE440C5740, 16 bytes long.
 Data: <&#192;  D&#222;           > C0 86 0B 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DE440C4DE0, 16 bytes long.
 Data: <   D&#222;           > 98 86 0B 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DE440C5600, 16 bytes long.
 Data: <p  D&#222;           > 70 86 0B 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DE440C4ED0, 16 bytes long.
 Data: <H  D&#222;           > 48 86 0B 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DE440C4FC0, 16 bytes long.
 Data: <   D&#222;           > 20 86 0B 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DE440C5920, 16 bytes long.
 Data: <   D&#222;           > F8 85 0B 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DE440BF880, 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 0x000001DE440C4C00, 16 bytes long.
 Data: <&#208;  D&#222;           > D0 85 0B 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DE440B85D0, 320 bytes long.
 Data: < L D&#222;      D&#222;   > 00 4C 0C 44 DE 01 00 00 80 F8 0B 44 DE 01 00 00 
{273} normal block at 0x000001DE440C4B10, 16 bytes long.
 Data: < \ D&#222;           > 20 5C 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DE440C58D0, 16 bytes long.
 Data: < [ D&#222;           > F8 5B 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DE440BFCA0, 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 0x000001DE440C5880, 16 bytes long.
 Data: <&#208;[ D&#222;           > D0 5B 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DE440BF040, 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 0x000001DE440C5830, 16 bytes long.
 Data: < [ D&#222;           > 18 5B 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DE440C56F0, 16 bytes long.
 Data: < Z D&#222;           > F0 5A 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DE440C56A0, 16 bytes long.
 Data: <&#200;Z D&#222;           > C8 5A 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DE440C5420, 16 bytes long.
 Data: < Z D&#222;           > A0 5A 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DE440C57E0, 16 bytes long.
 Data: <xZ D&#222;           > 78 5A 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DE440C5010, 16 bytes long.
 Data: <PZ D&#222;           > 50 5A 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DE440C4E80, 16 bytes long.
 Data: <&#192;G D&#222;           > C0 47 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DE440C47C0, 40 bytes long.
 Data: < N D&#222;    z F&#222;   > 80 4E 0C 44 DE 01 00 00 E0 7A 1D 46 DE 01 00 00 
{259} normal block at 0x000001DE440C4D40, 16 bytes long.
 Data: <0Z D&#222;           > 30 5A 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DE440C5240, 16 bytes long.
 Data: < Z D&#222;           > 08 5A 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001DE440BFBE0, 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 0x000001DE440C53D0, 16 bytes long.
 Data: < Y D&#222;           > E0 59 0C 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001DE440C59E0, 992 bytes long.
 Data: <&#208;S D&#222;      D&#222;   > D0 53 0C 44 DE 01 00 00 E0 FB 0B 44 DE 01 00 00 
{91} normal block at 0x000001DE440BF940, 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 0x000001DE440BE120, 16 bytes long.
 Data: <&#208;&#211; D&#222;           > D0 D3 0A 44 DE 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001DE440AD3D0, 40 bytes long.
 Data: <   D&#222;   @  D&#222;   > 20 E1 0B 44 DE 01 00 00 40 F9 0B 44 DE 01 00 00 
{66} normal block at 0x000001DE440BE580, 16 bytes long.
 Data: <                > 80 EA 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DE440BED50, 16 bytes long.
 Data: <@               > 40 E9 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DE440BEC60, 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 0x000001DE440BE530, 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 0x000001DE440BE2B0, 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 0x000001DE440BED00, 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 0x000001DE440BE850, 16 bytes long.
 Data: <                > E0 02 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DE440BE170, 16 bytes long.
 Data: <                > 10 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001DE440BE9E0, 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 0x000001DE440BE990, 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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