Task 38675728

Name test_61-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2879_0
Workunit 31617685
Created 26 Oct 2026, 9:08:33 UTC
Sent 26 Oct 2026, 9:08:43 UTC
Report deadline 31 Oct 2026, 9:08:43 UTC
Received 26 Oct 2026, 10:45:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648153
Run time 1 hours 22 min 29 sec
CPU time 1 hours 6 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.75 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:26:01 (34528): wrapper (7.9.26016): starting
04:26:01 (34528): 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
04:26:06 (34528): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:26:06 (34528): 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
05:45:34 (34528): C:/Windows/system32/cmd.exe exited; CPU time 3982.046875
05:45:34 (34528): 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: 123321779 bytes.
Dumping objects ->
{3835249} normal block at 0x000001C04EF7B890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001C04EF7B9E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001C04EF7B970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x000001C04EF7BDD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001C04EF7BBA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x000001C04EEE0D50, 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) : {3835161} normal block at 0x000001C04D327950, 8 bytes long.
 Data: <  -M&#192;   > 00 00 2D 4D C0 01 00 00 
{3833977} normal block at 0x000001C04D327B80, 8 bytes long.
 Data: <&#192;&#211;?M&#192;   > C0 D3 3F 4D C0 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001C04D321D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001C04D318A40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000001C04D323E60, 16 bytes long.
 Data: <  2M&#192;           > 18 81 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001C04D323DC0, 16 bytes long.
 Data: <&#240; 2M&#192;           > F0 80 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001C04D320180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000001C04D323E10, 16 bytes long.
 Data: <&#200; 2M&#192;           > C8 80 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C04D323D70, 16 bytes long.
 Data: <&#160; 2M&#192;           > A0 80 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C04D323AF0, 16 bytes long.
 Data: <x 2M&#192;           > 78 80 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C04D324090, 16 bytes long.
 Data: <P 2M&#192;           > 50 80 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C04D325FA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000001C04D323A00, 16 bytes long.
 Data: <&#200;t2M&#192;           > C8 74 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C04D31FC40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000001C04D323F00, 16 bytes long.
 Data: <&#160;t2M&#192;           > A0 74 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C04D323D20, 16 bytes long.
 Data: <xt2M&#192;           > 78 74 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C04D323CD0, 16 bytes long.
 Data: <Pt2M&#192;           > 50 74 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C04D323B90, 16 bytes long.
 Data: <(t2M&#192;           > 28 74 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C04D3278B0, 16 bytes long.
 Data: < t2M&#192;           > 00 74 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C04D327860, 16 bytes long.
 Data: <&#216;s2M&#192;           > D8 73 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C04D31FD00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000001C04D3277C0, 16 bytes long.
 Data: <&#176;s2M&#192;           > B0 73 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C04D3273B0, 320 bytes long.
 Data: <&#192;w2M&#192;    &#253;1M&#192;   > C0 77 32 4D C0 01 00 00 00 FD 31 4D C0 01 00 00 
{284} normal block at 0x000001C04D327A90, 16 bytes long.
 Data: <0 2M&#192;           > 30 80 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C04D327770, 16 bytes long.
 Data: <  2M&#192;           > 08 80 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C04D3205A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000001C04D3279F0, 16 bytes long.
 Data: <&#224; 2M&#192;           > E0 7F 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C04D31F9A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000001C04D3279A0, 16 bytes long.
 Data: <( 2M&#192;           > 28 7F 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C04D327810, 16 bytes long.
 Data: <  2M&#192;           > 00 7F 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C04D327A40, 16 bytes long.
 Data: <&#216;~2M&#192;           > D8 7E 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C04D327D10, 16 bytes long.
 Data: <&#176;~2M&#192;           > B0 7E 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C04D327720, 16 bytes long.
 Data: < ~2M&#192;           > 88 7E 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C04D3276D0, 16 bytes long.
 Data: <`~2M&#192;           > 60 7E 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C04D327BD0, 16 bytes long.
 Data: <@b2M&#192;           > 40 62 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C04D326240, 40 bytes long.
 Data: <&#208;{2M&#192;   P &#238;N&#192;   > D0 7B 32 4D C0 01 00 00 50 0D EE 4E C0 01 00 00 
{270} normal block at 0x000001C04D327CC0, 16 bytes long.
 Data: <@~2M&#192;           > 40 7E 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C04D327C70, 16 bytes long.
 Data: < ~2M&#192;           > 18 7E 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C04D320360, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000001C04D327680, 16 bytes long.
 Data: <&#240;}2M&#192;           > F0 7D 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C04D327DF0, 992 bytes long.
 Data: < v2M&#192;   ` 2M&#192;   > 80 76 32 4D C0 01 00 00 60 03 32 4D C0 01 00 00 
{102} normal block at 0x000001C04D31F940, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000001C04D323C80, 16 bytes long.
 Data: < \2M&#192;           > 20 5C 32 4D C0 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001C04D325C20, 40 bytes long.
 Data: < <2M&#192;   @&#249;1M&#192;   > 80 3C 32 4D C0 01 00 00 40 F9 31 4D C0 01 00 00 
{79} normal block at 0x000001C04D319890, 16 bytes long.
 Data: < &#234;&#130;M&#246;           > 80 EA 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001C04D319C00, 16 bytes long.
 Data: <@&#233;&#130;M&#246;           > 40 E9 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001C04D319840, 16 bytes long.
 Data: <&#248;W M&#246;           > F8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001C04D319ED0, 16 bytes long.
 Data: <&#216;W M&#246;           > D8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001C04D319D40, 16 bytes long.
 Data: <P  M&#246;           > 50 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001C04D319CF0, 16 bytes long.
 Data: <0  M&#246;           > 30 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C04D319E80, 16 bytes long.
 Data: <&#224;  M&#246;           > E0 02 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C04D319E30, 16 bytes long.
 Data: <   M&#246;           > 10 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C04D319B60, 16 bytes long.
 Data: <p  M&#246;           > 70 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C04D319CA0, 16 bytes long.
 Data: < &#192;}M&#246;           > 18 C0 7D 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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