Task 38668444

Name test_439-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND0034_2
Workunit 31610884
Created 25 Oct 2026, 11:48:13 UTC
Sent 25 Oct 2026, 11:48:28 UTC
Report deadline 30 Oct 2026, 11:48:28 UTC
Received 25 Oct 2026, 13:09:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 52 min 18 sec
CPU time 47 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.45 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:17:33 (21460): wrapper (7.9.26016): starting
13:17:33 (21460): 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
13:17:34 (21460): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:17:34 (21460): 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
14:08:54 (21460): C:/Windows/system32/cmd.exe exited; CPU time 2875.906250
14:08:54 (21460): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 38843005 bytes.
Dumping objects ->
{3835234} normal block at 0x000002351BDAD230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002351BDACEB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000002351BDACE40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000002351BDACC80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000002351A154C50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000002351BDF3DF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000002351BE0F370, 102 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) : {3835145} normal block at 0x000002351A14F6A0, 8 bytes long.
 Data: <    5   > 00 00 0F 1A 35 02 00 00 
{3834542} normal block at 0x000002351BE0E870, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002351A14EC00, 8 bytes long.
 Data: <&#240;O&#229; 5   > F0 4F E5 1B 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002351A151710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002351A146770, 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 0x000002351A156470, 16 bytes long.
 Data: <&#168;h  5           > A8 68 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002351A156290, 16 bytes long.
 Data: < h  5           > 80 68 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002351A150440, 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 0x000002351A156150, 16 bytes long.
 Data: <Xh  5           > 58 68 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002351A1559D0, 16 bytes long.
 Data: <0h  5           > 30 68 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002351A156100, 16 bytes long.
 Data: < h  5           > 08 68 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002351A155980, 16 bytes long.
 Data: <&#224;g  5           > E0 67 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002351A154CC0, 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 0x000002351A1561F0, 16 bytes long.
 Data: < &#245;  5           > 18 F5 13 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002351A1500E0, 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 0x000002351A155CA0, 16 bytes long.
 Data: <&#240;&#244;  5           > F0 F4 13 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002351A1558E0, 16 bytes long.
 Data: <&#200;&#244;  5           > C8 F4 13 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002351A156240, 16 bytes long.
 Data: <&#160;&#244;  5           > A0 F4 13 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002351A155C00, 16 bytes long.
 Data: <x&#244;  5           > 78 F4 13 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002351A156010, 16 bytes long.
 Data: <P&#244;  5           > 50 F4 13 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002351A1563D0, 16 bytes long.
 Data: <(&#244;  5           > 28 F4 13 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002351A14FEA0, 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 0x000002351A1560B0, 16 bytes long.
 Data: < &#244;  5           > 00 F4 13 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002351A13F400, 320 bytes long.
 Data: <&#176;`  5   &#160;&#254;  5   > B0 60 15 1A 35 02 00 00 A0 FE 14 1A 35 02 00 00 
{276} normal block at 0x000002351A155890, 16 bytes long.
 Data: <&#192;g  5           > C0 67 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002351A155BB0, 16 bytes long.
 Data: < g  5           > 98 67 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002351A1502C0, 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 0x000002351A1557A0, 16 bytes long.
 Data: <pg  5           > 70 67 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002351A14FE40, 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 0x000002351A156380, 16 bytes long.
 Data: <&#184;f  5           > B8 66 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002351A155E30, 16 bytes long.
 Data: < f  5           > 90 66 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002351A155F20, 16 bytes long.
 Data: <hf  5           > 68 66 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002351A156060, 16 bytes long.
 Data: <@f  5           > 40 66 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002351A1557F0, 16 bytes long.
 Data: < f  5           > 18 66 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002351A155840, 16 bytes long.
 Data: <&#240;e  5           > F0 65 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002351A155F70, 16 bytes long.
 Data: < N  5           > 80 4E 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002351A154E80, 40 bytes long.
 Data: <p_  5   &#240;=&#223; 5   > 70 5F 15 1A 35 02 00 00 F0 3D DF 1B 35 02 00 00 
{262} normal block at 0x000002351A155DE0, 16 bytes long.
 Data: <&#208;e  5           > D0 65 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002351A155B60, 16 bytes long.
 Data: <&#168;e  5           > A8 65 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002351A150800, 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 0x000002351A155D90, 16 bytes long.
 Data: < e  5           > 80 65 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002351A156580, 992 bytes long.
 Data: < ]  5       5   > 90 5D 15 1A 35 02 00 00 00 08 15 1A 35 02 00 00 
{94} normal block at 0x000002351A150980, 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 0x000002351A14F650, 16 bytes long.
 Data: <&#208;O  5           > D0 4F 15 1A 35 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002351A154FD0, 40 bytes long.
 Data: <P&#246;  5    	  5   > 50 F6 14 1A 35 02 00 00 80 09 15 1A 35 02 00 00 
{71} normal block at 0x000002351A14EED0, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002351A14F880, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002351A14F470, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002351A14EFC0, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002351A14F4C0, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002351A14F240, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002351A14ED40, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002351A14F0B0, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002351A14F1F0, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002351A14ECA0, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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