Task 38654394

Name test_503-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND6436_0
Workunit 31598217
Created 24 Oct 2026, 7:14:36 UTC
Sent 24 Oct 2026, 7:14:54 UTC
Report deadline 29 Oct 2026, 7:14:54 UTC
Received 24 Oct 2026, 9:59:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592498
Run time 33 min 42 sec
CPU time 27 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.36 MB
Peak swap size 8.28 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:14:42 (50112): wrapper (7.9.26016): starting
02:14:42 (50112): 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
02:14:44 (50112): Library/usr/bin/tar.exe exited; CPU time 0.046875
02:14:44 (50112): 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\10\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\10\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
02:46:53 (50112): C:/Windows/system32/cmd.exe exited; CPU time 1646.093750
02:46:53 (50112): 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: 43813837 bytes.
Dumping objects ->
{3835194} normal block at 0x0000016CE985FFF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000016CE985FF10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000016CE985FDC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x0000016CE98604C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000016CE98600D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x0000016CECF5AE30, 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) : {3835105} normal block at 0x0000016CE985C990, 8 bytes long.
 Data: <   &#237;l   > 00 00 05 ED 6C 01 00 00 
{3833947} normal block at 0x0000016CE985BFE0, 8 bytes long.
 Data: < T&#251;&#236;l   > 20 54 FB EC 6C 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000016CE984C800, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016CE9846690, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000016CE985CBC0, 16 bytes long.
 Data: <X &#134;&#233;l           > 58 0F 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016CE985CB20, 16 bytes long.
 Data: <0 &#134;&#233;l           > 30 0F 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016CE985B910, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000016CE985C7B0, 16 bytes long.
 Data: <  &#134;&#233;l           > 08 0F 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016CE985C760, 16 bytes long.
 Data: <&#224; &#134;&#233;l           > E0 0E 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016CE985C670, 16 bytes long.
 Data: <&#184; &#134;&#233;l           > B8 0E 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016CE985C530, 16 bytes long.
 Data: <  &#134;&#233;l           > 90 0E 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016CE9860370, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000016CE985C4E0, 16 bytes long.
 Data: <  &#134;&#233;l           > 98 06 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016CE985B3D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000016CE985C120, 16 bytes long.
 Data: <p &#134;&#233;l           > 70 06 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016CE985C0D0, 16 bytes long.
 Data: <H &#134;&#233;l           > 48 06 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016CE985C3A0, 16 bytes long.
 Data: <  &#134;&#233;l           > 20 06 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016CE985C6C0, 16 bytes long.
 Data: <&#248; &#134;&#233;l           > F8 05 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016CE985C170, 16 bytes long.
 Data: <&#208; &#134;&#233;l           > D0 05 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016CE985C3F0, 16 bytes long.
 Data: <&#168; &#134;&#233;l           > A8 05 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016CE985B850, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000016CE985C8A0, 16 bytes long.
 Data: <  &#134;&#233;l           > 80 05 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016CE9860580, 320 bytes long.
 Data: <&#160;&#200;&#133;&#233;l   P&#184;&#133;&#233;l   > A0 C8 85 E9 6C 01 00 00 50 B8 85 E9 6C 01 00 00 
{269} normal block at 0x0000016CE985C710, 16 bytes long.
 Data: <p &#134;&#233;l           > 70 0E 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016CE985BEF0, 16 bytes long.
 Data: <H &#134;&#233;l           > 48 0E 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016CE985B790, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000016CE985CDF0, 16 bytes long.
 Data: <  &#134;&#233;l           > 20 0E 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016CE985B9D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000016CE985C030, 16 bytes long.
 Data: <h &#134;&#233;l           > 68 0D 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016CE985C1C0, 16 bytes long.
 Data: <@ &#134;&#233;l           > 40 0D 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016CE985C260, 16 bytes long.
 Data: <  &#134;&#233;l           > 18 0D 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016CE985CDA0, 16 bytes long.
 Data: <&#240; &#134;&#233;l           > F0 0C 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016CE985C490, 16 bytes long.
 Data: <&#200; &#134;&#233;l           > C8 0C 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016CE985BF40, 16 bytes long.
 Data: <&#160; &#134;&#233;l           > A0 0C 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016CE985C440, 16 bytes long.
 Data: <0&#254;&#133;&#233;l           > 30 FE 85 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016CE985FE30, 40 bytes long.
 Data: <@&#196;&#133;&#233;l   0&#174;&#245;&#236;l   > 40 C4 85 E9 6C 01 00 00 30 AE F5 EC 6C 01 00 00 
{255} normal block at 0x0000016CE985C080, 16 bytes long.
 Data: <  &#134;&#233;l           > 80 0C 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016CE985CA80, 16 bytes long.
 Data: <X &#134;&#233;l           > 58 0C 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000016CE985B6D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000016CE985C9E0, 16 bytes long.
 Data: <0 &#134;&#233;l           > 30 0C 86 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000016CE9860C30, 992 bytes long.
 Data: <&#224;&#201;&#133;&#233;l   &#208;&#182;&#133;&#233;l   > E0 C9 85 E9 6C 01 00 00 D0 B6 85 E9 6C 01 00 00 
{87} normal block at 0x0000016CE985B610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000016CE985CC60, 16 bytes long.
 Data: < &#255;&#133;&#233;l           > 80 FF 85 E9 6C 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000016CE985FF80, 40 bytes long.
 Data: <`&#204;&#133;&#233;l    &#182;&#133;&#233;l   > 60 CC 85 E9 6C 01 00 00 10 B6 85 E9 6C 01 00 00 
{64} normal block at 0x0000016CE985C5D0, 16 bytes long.
 Data: < &#234;"&#164;&#247;           > 80 EA 22 A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016CE985CB70, 16 bytes long.
 Data: <@&#233;"&#164;&#247;           > 40 E9 22 A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016CE985CCB0, 16 bytes long.
 Data: <&#248;W &#164;&#247;           > F8 57 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016CE98507B0, 16 bytes long.
 Data: <&#216;W &#164;&#247;           > D8 57 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016CE9850580, 16 bytes long.
 Data: <P  &#164;&#247;           > 50 04 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016CE9850530, 16 bytes long.
 Data: <0  &#164;&#247;           > 30 04 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016CE9850760, 16 bytes long.
 Data: <&#224;  &#164;&#247;           > E0 02 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016CE984FE50, 16 bytes long.
 Data: <   &#164;&#247;           > 10 04 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016CE98503A0, 16 bytes long.
 Data: <p  &#164;&#247;           > 70 04 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000016CE9850350, 16 bytes long.
 Data: < &#192; &#164;&#247;           > 18 C0 1D A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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