Task 38683976

Name test_105-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND9917_0
Workunit 31625508
Created 27 Oct 2026, 14:10:12 UTC
Sent 27 Oct 2026, 14:10:16 UTC
Report deadline 1 Nov 2026, 14:10:16 UTC
Received 27 Oct 2026, 14:36:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616901
Run time 25 min 29 sec
CPU time 24 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.51 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:11:30 (10828): wrapper (7.9.26016): starting
17:11:30 (10828): 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
17:11:31 (10828): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:11:31 (10828): 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
17:36:04 (10828): C:/Windows/system32/cmd.exe exited; CPU time 1441.765625
17:36:04 (10828): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 26663587 bytes.
Dumping objects ->
{3835298} normal block at 0x00000285F77443D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x00000285F7745240, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x00000285F7744750, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835265} normal block at 0x00000285F77449F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x00000285F59A4F70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835223} normal block at 0x00000285F76B7030, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000285F59FC8D0, 140 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) : {3835209} normal block at 0x00000285F599D880, 8 bytes long.
 Data: <  R&#247;&#133;   > 00 00 52 F7 85 02 00 00 
{3834580} normal block at 0x00000285F59FD430, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000285F599DE70, 8 bytes long.
 Data: < Wq&#247;&#133;   > 20 57 71 F7 85 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000285F59A10D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000285F5996B50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000285F59A6670, 16 bytes long.
 Data: <&#184;k&#154;&#245;&#133;           > B8 6B 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000285F59A5E50, 16 bytes long.
 Data: < k&#154;&#245;&#133;           > 90 6B 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000285F599F2C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000285F59A5F40, 16 bytes long.
 Data: <hk&#154;&#245;&#133;           > 68 6B 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000285F59A6120, 16 bytes long.
 Data: <@k&#154;&#245;&#133;           > 40 6B 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000285F59A6210, 16 bytes long.
 Data: < k&#154;&#245;&#133;           > 18 6B 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000285F59A5770, 16 bytes long.
 Data: <&#240;j&#154;&#245;&#133;           > F0 6A 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000285F59A51A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000285F59A5A40, 16 bytes long.
 Data: <&#168;&#183; &#245;&#133;           > A8 B7 98 F5 85 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000285F599FE60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000285F59A5720, 16 bytes long.
 Data: < &#183; &#245;&#133;           > 80 B7 98 F5 85 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000285F59A65D0, 16 bytes long.
 Data: <X&#183; &#245;&#133;           > 58 B7 98 F5 85 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000285F59A60D0, 16 bytes long.
 Data: <0&#183; &#245;&#133;           > 30 B7 98 F5 85 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000285F59A5E00, 16 bytes long.
 Data: < &#183; &#245;&#133;           > 08 B7 98 F5 85 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000285F59A6490, 16 bytes long.
 Data: <&#224;&#182; &#245;&#133;           > E0 B6 98 F5 85 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000285F59A5C20, 16 bytes long.
 Data: <&#184;&#182; &#245;&#133;           > B8 B6 98 F5 85 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000285F599FE00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000285F59A6080, 16 bytes long.
 Data: < &#182; &#245;&#133;           > 90 B6 98 F5 85 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000285F598B690, 320 bytes long.
 Data: < `&#154;&#245;&#133;    &#254; &#245;&#133;   > 80 60 9A F5 85 02 00 00 00 FE 99 F5 85 02 00 00 
{278} normal block at 0x00000285F59A6440, 16 bytes long.
 Data: <&#208;j&#154;&#245;&#133;           > D0 6A 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000285F59A5AE0, 16 bytes long.
 Data: <&#168;j&#154;&#245;&#133;           > A8 6A 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000285F599F860, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000285F59A5DB0, 16 bytes long.
 Data: < j&#154;&#245;&#133;           > 80 6A 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000285F599F560, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000285F59A57C0, 16 bytes long.
 Data: <&#200;i&#154;&#245;&#133;           > C8 69 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000285F59A64E0, 16 bytes long.
 Data: <&#160;i&#154;&#245;&#133;           > A0 69 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000285F59A63A0, 16 bytes long.
 Data: <xi&#154;&#245;&#133;           > 78 69 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000285F59A5BD0, 16 bytes long.
 Data: <Pi&#154;&#245;&#133;           > 50 69 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000285F59A5F90, 16 bytes long.
 Data: <(i&#154;&#245;&#133;           > 28 69 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000285F59A5860, 16 bytes long.
 Data: < i&#154;&#245;&#133;           > 00 69 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000285F59A62B0, 16 bytes long.
 Data: <&#208;L&#154;&#245;&#133;           > D0 4C 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000285F59A4CD0, 40 bytes long.
 Data: <&#176;b&#154;&#245;&#133;   0pk&#247;&#133;   > B0 62 9A F5 85 02 00 00 30 70 6B F7 85 02 00 00 
{264} normal block at 0x00000285F59A6350, 16 bytes long.
 Data: <&#224;h&#154;&#245;&#133;           > E0 68 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000285F59A5810, 16 bytes long.
 Data: <&#184;h&#154;&#245;&#133;           > B8 68 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000285F599F6E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000285F59A6530, 16 bytes long.
 Data: < h&#154;&#245;&#133;           > 90 68 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000285F59A6890, 992 bytes long.
 Data: <0e&#154;&#245;&#133;   &#224;&#246; &#245;&#133;   > 30 65 9A F5 85 02 00 00 E0 F6 99 F5 85 02 00 00 
{96} normal block at 0x00000285F599F140, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000285F599D510, 16 bytes long.
 Data: < R&#154;&#245;&#133;           > 10 52 9A F5 85 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000285F59A5210, 40 bytes long.
 Data: < &#213; &#245;&#133;   @&#241; &#245;&#133;   > 10 D5 99 F5 85 02 00 00 40 F1 99 F5 85 02 00 00 
{73} normal block at 0x00000285F599DC40, 16 bytes long.
 Data: < &#234;&#168;D&#246;           > 80 EA A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000285F599E280, 16 bytes long.
 Data: <@&#233;&#168;D&#246;           > 40 E9 A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000285F599DBA0, 16 bytes long.
 Data: <&#248;W&#165;D&#246;           > F8 57 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000285F599DDD0, 16 bytes long.
 Data: <&#216;W&#165;D&#246;           > D8 57 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000285F599E230, 16 bytes long.
 Data: <P &#165;D&#246;           > 50 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000285F599D7E0, 16 bytes long.
 Data: <0 &#165;D&#246;           > 30 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000285F599DE20, 16 bytes long.
 Data: <&#224; &#165;D&#246;           > E0 02 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000285F599E140, 16 bytes long.
 Data: <  &#165;D&#246;           > 10 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000285F599D830, 16 bytes long.
 Data: <p &#165;D&#246;           > 70 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000285F599D420, 16 bytes long.
 Data: < &#192;&#163;D&#246;           > 18 C0 A3 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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