Task 38681252

Name test_495-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7863_1
Workunit 31622643
Created 27 Oct 2026, 3:17:00 UTC
Sent 27 Oct 2026, 3:17:05 UTC
Report deadline 1 Nov 2026, 3:17:05 UTC
Received 27 Oct 2026, 17:58:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 22 min 31 sec
CPU time 20 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,323.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.54 MB
Peak swap size 5.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:35:16 (21356): wrapper (7.9.26016): starting
13:35:16 (21356): 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
13:35:17 (21356): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:35:17 (21356): 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\12\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\12\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
13:57:42 (21356): C:/Windows/system32/cmd.exe exited; CPU time 1201.031250
13:57:42 (21356): 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: 27081761 bytes.
Dumping objects ->
{3835576} normal block at 0x0000027662F6DDA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835565} normal block at 0x0000027662F6E510, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835554} normal block at 0x0000027661355620, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835543} normal block at 0x0000027661355540, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x00000276613555B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835501} normal block at 0x0000027662FB6530, 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) : {3835488} normal block at 0x000002766134D770, 8 bytes long.
 Data: <  }av   > 00 00 7D 61 76 02 00 00 
{3833961} normal block at 0x000002766134E300, 8 bytes long.
 Data: <&#176;C cv   > B0 43 01 63 76 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027661351C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027661346B80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000027661355F10, 16 bytes long.
 Data: <&#184;p5av           > B8 70 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027661356C30, 16 bytes long.
 Data: < p5av           > 90 70 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002766134FC70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000027661356A00, 16 bytes long.
 Data: <hp5av           > 68 70 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027661356280, 16 bytes long.
 Data: <@p5av           > 40 70 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027661356D20, 16 bytes long.
 Data: < p5av           > 18 70 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027661355EC0, 16 bytes long.
 Data: <&#240;o5av           > F0 6F 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027661355310, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000027661356B90, 16 bytes long.
 Data: <&#168;&#247;3av           > A8 F7 33 61 76 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002766134FD30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000276613565A0, 16 bytes long.
 Data: < &#247;3av           > 80 F7 33 61 76 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027661356960, 16 bytes long.
 Data: <X&#247;3av           > 58 F7 33 61 76 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000276613569B0, 16 bytes long.
 Data: <0&#247;3av           > 30 F7 33 61 76 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027661356B40, 16 bytes long.
 Data: < &#247;3av           > 08 F7 33 61 76 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027661356AF0, 16 bytes long.
 Data: <&#224;&#246;3av           > E0 F6 33 61 76 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000276613560A0, 16 bytes long.
 Data: <&#184;&#246;3av           > B8 F6 33 61 76 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002766134FF70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000276613561E0, 16 bytes long.
 Data: < &#246;3av           > 90 F6 33 61 76 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002766133F690, 320 bytes long.
 Data: <&#224;a5av   p&#255;4av   > E0 61 35 61 76 02 00 00 70 FF 34 61 76 02 00 00 
{276} normal block at 0x0000027661356BE0, 16 bytes long.
 Data: <&#208;o5av           > D0 6F 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027661355E70, 16 bytes long.
 Data: <&#168;o5av           > A8 6F 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002766134F8B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000027661356AA0, 16 bytes long.
 Data: < o5av           > 80 6F 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002766134F910, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000276613563C0, 16 bytes long.
 Data: <&#200;n5av           > C8 6E 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027661356A50, 16 bytes long.
 Data: <&#160;n5av           > A0 6E 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027661356230, 16 bytes long.
 Data: <xn5av           > 78 6E 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027661356870, 16 bytes long.
 Data: <Pn5av           > 50 6E 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027661356910, 16 bytes long.
 Data: <(n5av           > 28 6E 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027661356CD0, 16 bytes long.
 Data: < n5av           > 00 6E 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027661356640, 16 bytes long.
 Data: <0R5av           > 30 52 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027661355230, 40 bytes long.
 Data: <@f5av   0e&#251;bv   > 40 66 35 61 76 02 00 00 30 65 FB 62 76 02 00 00 
{262} normal block at 0x0000027661356190, 16 bytes long.
 Data: <&#224;m5av           > E0 6D 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027661356690, 16 bytes long.
 Data: <&#184;m5av           > B8 6D 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027661350630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000276613564B0, 16 bytes long.
 Data: < m5av           > 90 6D 35 61 76 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027661356D90, 992 bytes long.
 Data: <&#176;d5av   0 5av   > B0 64 35 61 76 02 00 00 30 06 35 61 76 02 00 00 
{94} normal block at 0x0000027661350090, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002766134DD60, 16 bytes long.
 Data: < &#243;3av           > 90 F3 33 61 76 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002766133F390, 40 bytes long.
 Data: <`&#221;4av     5av   > 60 DD 34 61 76 02 00 00 90 00 35 61 76 02 00 00 
{71} normal block at 0x000002766134DA90, 16 bytes long.
 Data: < &#234;aj&#246;           > 80 EA 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002766134DF90, 16 bytes long.
 Data: <@&#233;aj&#246;           > 40 E9 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002766134E6C0, 16 bytes long.
 Data: <&#248;W^j&#246;           > F8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002766134DD10, 16 bytes long.
 Data: <&#216;W^j&#246;           > D8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002766134DA40, 16 bytes long.
 Data: <P ^j&#246;           > 50 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002766134E620, 16 bytes long.
 Data: <0 ^j&#246;           > 30 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002766134D900, 16 bytes long.
 Data: <&#224; ^j&#246;           > E0 02 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002766134E490, 16 bytes long.
 Data: <  ^j&#246;           > 10 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002766134E030, 16 bytes long.
 Data: <p ^j&#246;           > 70 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002766134DBD0, 16 bytes long.
 Data: < &#192;\j&#246;           > 18 C0 5C 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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