Task 38683228

Name test_145-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7472_0
Workunit 31624805
Created 27 Oct 2026, 10:59:14 UTC
Sent 27 Oct 2026, 10:59:17 UTC
Report deadline 1 Nov 2026, 10:59:17 UTC
Received 27 Oct 2026, 15:55:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645746
Run time 42 min 26 sec
CPU time 37 min 8 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 673.01 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:13:09 (21368): wrapper (7.9.26016): starting
11:13:09 (21368): 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
11:13:11 (21368): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:13:11 (21368): 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\17\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\17\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
11:54:20 (21368): C:/Windows/system32/cmd.exe exited; CPU time 2228.140625
11:54:20 (21368): 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: 40340981 bytes.
Dumping objects ->
{3835188} normal block at 0x00000000004B5B80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x00000000004B59C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x00000000004B5AA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835155} normal block at 0x00000000004B5D40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x00000000004B5950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835113} normal block at 0x00000000024E9130, 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) : {3835100} normal block at 0x00000000004B0670, 8 bytes long.
 Data: <  &#132;     > 00 00 84 00 00 00 00 00 
{3833951} normal block at 0x00000000004B1390, 8 bytes long.
 Data: <&#176;&#174;M     > B0 AE 4D 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000000004B1540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000000004A7200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000000004B6EC0, 16 bytes long.
 Data: <&#200;cK             > C8 63 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000000004B6D80, 16 bytes long.
 Data: <&#160;cK             > A0 63 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000000004B0120, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000000004B6650, 16 bytes long.
 Data: <xcK             > 78 63 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000000004B72D0, 16 bytes long.
 Data: <PcK             > 50 63 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000000004B66F0, 16 bytes long.
 Data: <(cK             > 28 63 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000000004B7410, 16 bytes long.
 Data: < cK             > 00 63 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000000004B5E20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000000004B6D30, 16 bytes long.
 Data: <8&#155;J             > 38 9B 4A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000000004AFF40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000000004B7190, 16 bytes long.
 Data: < &#155;J             > 10 9B 4A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000000004B6600, 16 bytes long.
 Data: <&#232;&#154;J             > E8 9A 4A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000000004B6C40, 16 bytes long.
 Data: <&#192;&#154;J             > C0 9A 4A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000000004B6510, 16 bytes long.
 Data: < &#154;J             > 98 9A 4A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000000004B6AB0, 16 bytes long.
 Data: <p&#154;J             > 70 9A 4A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000000004B6DD0, 16 bytes long.
 Data: <H&#154;J             > 48 9A 4A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000000004B0180, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000000004B7140, 16 bytes long.
 Data: < &#154;J             > 20 9A 4A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000000004A9A20, 320 bytes long.
 Data: <@qK       K     > 40 71 4B 00 00 00 00 00 80 01 4B 00 00 00 00 00 
{271} normal block at 0x00000000004B7460, 16 bytes long.
 Data: <&#224;bK             > E0 62 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000000004B7000, 16 bytes long.
 Data: <&#184;bK             > B8 62 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000000004AF520, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000000004B65B0, 16 bytes long.
 Data: < bK             > 90 62 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000000004B0240, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000000004B6CE0, 16 bytes long.
 Data: <&#216;aK             > D8 61 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000000004B71E0, 16 bytes long.
 Data: <&#176;aK             > B0 61 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000000004B70F0, 16 bytes long.
 Data: < aK             > 88 61 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000000004B70A0, 16 bytes long.
 Data: <`aK             > 60 61 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000000004B0AD0, 16 bytes long.
 Data: <8aK             > 38 61 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000000004B0A80, 16 bytes long.
 Data: < aK             > 10 61 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000000004B0850, 16 bytes long.
 Data: <&#176;]K             > B0 5D 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000000004B5DB0, 40 bytes long.
 Data: <P K     0&#145;N     > 50 08 4B 00 00 00 00 00 30 91 4E 02 00 00 00 00 
{257} normal block at 0x00000000004B05D0, 16 bytes long.
 Data: <&#240;`K             > F0 60 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000000004B1070, 16 bytes long.
 Data: <&#200;`K             > C8 60 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000000004B0000, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000000004B0FD0, 16 bytes long.
 Data: <&#160;`K             > A0 60 4B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000000004B60A0, 992 bytes long.
 Data: <&#208; K       K     > D0 0F 4B 00 00 00 00 00 00 00 4B 00 00 00 00 00 
{89} normal block at 0x00000000004B0060, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000000004B0990, 16 bytes long.
 Data: <P&#239;I             > 50 EF 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000000000049EF50, 40 bytes long.
 Data: < 	K     ` K     > 90 09 4B 00 00 00 00 00 60 00 4B 00 00 00 00 00 
{66} normal block at 0x00000000004B0620, 16 bytes long.
 Data: < &#234;Wf&#247;           > 80 EA 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000000004B0530, 16 bytes long.
 Data: <@&#233;Wf&#247;           > 40 E9 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000000004B1250, 16 bytes long.
 Data: <&#248;WTf&#247;           > F8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000000004B1340, 16 bytes long.
 Data: <&#216;WTf&#247;           > D8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000000004B0C10, 16 bytes long.
 Data: <P Tf&#247;           > 50 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000000004B0C60, 16 bytes long.
 Data: <0 Tf&#247;           > 30 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000000004B0800, 16 bytes long.
 Data: <&#224; Tf&#247;           > E0 02 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000000004B0B70, 16 bytes long.
 Data: <  Tf&#247;           > 10 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000000004B0BC0, 16 bytes long.
 Data: <p Tf&#247;           > 70 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000000004B08A0, 16 bytes long.
 Data: < &#192;Rf&#247;           > 18 C0 52 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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