Task 38688946

Name test_719-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6674_0
Workunit 31630238
Created 28 Oct 2026, 17:08:53 UTC
Sent 28 Oct 2026, 17:09:05 UTC
Report deadline 2 Nov 2026, 17:09:05 UTC
Received 28 Oct 2026, 21:15:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653795
Run time 1 hours 4 min 2 sec
CPU time 1 hours 1 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,071.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 651.46 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:11:12 (14656): wrapper (7.9.26016): starting
15:11:12 (14656): 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
15:11:13 (14656): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:11:13 (14656): 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\8\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\8\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
16:14:44 (14656): C:/Windows/system32/cmd.exe exited; CPU time 3670.500000
16:14:44 (14656): 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: 46038305 bytes.
Dumping objects ->
{3835176} normal block at 0x000001AD9F526310, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001AD9F525DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001AD9F526C40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835143} normal block at 0x000001AD9F5269A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x000001AD9F526070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835101} normal block at 0x000001ADA0FDC140, 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) : {3835088} normal block at 0x000001AD9F4F7F20, 8 bytes long.
 Data: <  L&#159;&#173;   > 00 00 4C 9F AD 01 00 00 
{3833945} normal block at 0x000001AD9F4F7700, 8 bytes long.
 Data: <pDW&#159;&#173;   > 70 44 57 9F AD 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001AD9F5014E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AD9F502420, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001AD9F5027A0, 16 bytes long.
 Data: < <P&#159;&#173;           > 08 3C 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AD9F503100, 16 bytes long.
 Data: <&#224;;P&#159;&#173;           > E0 3B 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AD9F4FD060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001AD9F502DE0, 16 bytes long.
 Data: <&#184;;P&#159;&#173;           > B8 3B 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AD9F502C00, 16 bytes long.
 Data: < ;P&#159;&#173;           > 90 3B 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AD9F502840, 16 bytes long.
 Data: <h;P&#159;&#173;           > 68 3B 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AD9F5027F0, 16 bytes long.
 Data: <@;P&#159;&#173;           > 40 3B 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AD9F4FC240, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001AD9F5030B0, 16 bytes long.
 Data: <&#184;#P&#159;&#173;           > B8 23 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AD9F4FD0C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001AD9F502D90, 16 bytes long.
 Data: < #P&#159;&#173;           > 90 23 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AD9F502890, 16 bytes long.
 Data: <h#P&#159;&#173;           > 68 23 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AD9F502610, 16 bytes long.
 Data: <@#P&#159;&#173;           > 40 23 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AD9F502F70, 16 bytes long.
 Data: < #P&#159;&#173;           > 18 23 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AD9F502BB0, 16 bytes long.
 Data: <&#240;"P&#159;&#173;           > F0 22 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AD9F503060, 16 bytes long.
 Data: <&#200;"P&#159;&#173;           > C8 22 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AD9F4FDC00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001AD9F502B60, 16 bytes long.
 Data: <&#160;"P&#159;&#173;           > A0 22 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AD9F5022A0, 320 bytes long.
 Data: <`+P&#159;&#173;    &#220;O&#159;&#173;   > 60 2B 50 9F AD 01 00 00 00 DC 4F 9F AD 01 00 00 
{268} normal block at 0x000001AD9F5025C0, 16 bytes long.
 Data: < ;P&#159;&#173;           > 20 3B 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AD9F5032E0, 16 bytes long.
 Data: <&#248;:P&#159;&#173;           > F8 3A 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AD9F4FD3C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001AD9F502D40, 16 bytes long.
 Data: <&#208;:P&#159;&#173;           > D0 3A 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AD9F4FDD80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001AD9F502ED0, 16 bytes long.
 Data: < :P&#159;&#173;           > 18 3A 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AD9F502B10, 16 bytes long.
 Data: <&#240;9P&#159;&#173;           > F0 39 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AD9F502660, 16 bytes long.
 Data: <&#200;9P&#159;&#173;           > C8 39 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AD9F502E80, 16 bytes long.
 Data: <&#160;9P&#159;&#173;           > A0 39 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AD9F5031A0, 16 bytes long.
 Data: <x9P&#159;&#173;           > 78 39 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AD9F503010, 16 bytes long.
 Data: <P9P&#159;&#173;           > 50 39 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AD9F502AC0, 16 bytes long.
 Data: <&#176;&#194;O&#159;&#173;           > B0 C2 4F 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001AD9F4FC2B0, 40 bytes long.
 Data: <&#192;*P&#159;&#173;   @&#193;&#253;&#160;&#173;   > C0 2A 50 9F AD 01 00 00 40 C1 FD A0 AD 01 00 00 
{254} normal block at 0x000001AD9F502980, 16 bytes long.
 Data: <09P&#159;&#173;           > 30 39 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001AD9F502E30, 16 bytes long.
 Data: < 9P&#159;&#173;           > 08 39 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001AD9F4FDD20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001AD9F502CF0, 16 bytes long.
 Data: <&#224;8P&#159;&#173;           > E0 38 50 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001AD9F5038E0, 992 bytes long.
 Data: <&#240;,P&#159;&#173;    &#221;O&#159;&#173;   > F0 2C 50 9F AD 01 00 00 20 DD 4F 9F AD 01 00 00 
{86} normal block at 0x000001AD9F4FDEA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001AD9F4F7110, 16 bytes long.
 Data: <&#224;&#189;O&#159;&#173;           > E0 BD 4F 9F AD 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001AD9F4FBDE0, 40 bytes long.
 Data: < qO&#159;&#173;   &#160;&#222;O&#159;&#173;   > 10 71 4F 9F AD 01 00 00 A0 DE 4F 9F AD 01 00 00 
{63} normal block at 0x000001AD9F4F7E80, 16 bytes long.
 Data: < &#234; U&#246;           > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AD9F4F7250, 16 bytes long.
 Data: <@&#233; U&#246;           > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AD9F4F7D40, 16 bytes long.
 Data: <&#248;W&#253;T&#246;           > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AD9F4F71B0, 16 bytes long.
 Data: <&#216;W&#253;T&#246;           > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AD9F4F70C0, 16 bytes long.
 Data: <P &#253;T&#246;           > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AD9F4F7FC0, 16 bytes long.
 Data: <0 &#253;T&#246;           > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001AD9F4F7610, 16 bytes long.
 Data: <&#224; &#253;T&#246;           > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001AD9F4F7E30, 16 bytes long.
 Data: <  &#253;T&#246;           > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001AD9F4F78E0, 16 bytes long.
 Data: <p &#253;T&#246;           > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001AD9F4F7890, 16 bytes long.
 Data: < &#192;&#251;T&#246;           > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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