Task 38686898

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND8511_0
Workunit 31628307
Created 28 Oct 2026, 4:56:07 UTC
Sent 28 Oct 2026, 4:56:10 UTC
Report deadline 2 Nov 2026, 4:56:10 UTC
Received 28 Oct 2026, 5:44:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 22 min 47 sec
CPU time 20 min 31 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 727.27 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>
01:21:03 (32512): wrapper (7.9.26016): starting
01:21:03 (32512): 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
01:21:04 (32512): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:21:04 (32512): 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
01:44:04 (32512): C:/Windows/system32/cmd.exe exited; CPU time 1231.296875
01:44:04 (32512): 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: 31097007 bytes.
Dumping objects ->
{3835576} normal block at 0x000002371FD1DC70, 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 0x000002371FD1E060, 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 0x000002371E125470, 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 0x000002371E125400, 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 0x000002371E125630, 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 0x000002371FD687C0, 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 0x000002371E11D820, 8 bytes long.
 Data: <    7   > 00 00 0F 1E 37 02 00 00 
{3833961} normal block at 0x000002371E11E590, 8 bytes long.
 Data: <&#192;C&#220; 7   > C0 43 DC 1F 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002371E1218D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002371E116DD0, 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 0x000002371E126330, 16 bytes long.
 Data: <&#200;p  7           > C8 70 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002371E1262E0, 16 bytes long.
 Data: <&#160;p  7           > A0 70 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002371E11F740, 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 0x000002371E126650, 16 bytes long.
 Data: <xp  7           > 78 70 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002371E1264C0, 16 bytes long.
 Data: <Pp  7           > 50 70 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002371E1260B0, 16 bytes long.
 Data: <(p  7           > 28 70 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002371E126060, 16 bytes long.
 Data: < p  7           > 00 70 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002371E1256A0, 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 0x000002371E126600, 16 bytes long.
 Data: <&#184;&#247;  7           > B8 F7 10 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002371E120640, 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 0x000002371E125FC0, 16 bytes long.
 Data: < &#247;  7           > 90 F7 10 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002371E126790, 16 bytes long.
 Data: <h&#247;  7           > 68 F7 10 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002371E126B00, 16 bytes long.
 Data: <@&#247;  7           > 40 F7 10 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002371E125F20, 16 bytes long.
 Data: < &#247;  7           > 18 F7 10 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002371E126880, 16 bytes long.
 Data: <&#240;&#246;  7           > F0 F6 10 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002371E126B50, 16 bytes long.
 Data: <&#200;&#246;  7           > C8 F6 10 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002371E120160, 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 0x000002371E126AB0, 16 bytes long.
 Data: <&#160;&#246;  7           > A0 F6 10 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002371E10F6A0, 320 bytes long.
 Data: <&#176;j  7   `   7   > B0 6A 12 1E 37 02 00 00 60 01 12 1E 37 02 00 00 
{276} normal block at 0x000002371E125ED0, 16 bytes long.
 Data: <&#224;o  7           > E0 6F 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002371E126010, 16 bytes long.
 Data: <&#184;o  7           > B8 6F 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002371E11F8C0, 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 0x000002371E125E80, 16 bytes long.
 Data: < o  7           > 90 6F 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002371E120520, 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 0x000002371E1265B0, 16 bytes long.
 Data: <&#216;n  7           > D8 6E 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002371E125E30, 16 bytes long.
 Data: <&#176;n  7           > B0 6E 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002371E126CE0, 16 bytes long.
 Data: < n  7           > 88 6E 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002371E126470, 16 bytes long.
 Data: <`n  7           > 60 6E 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002371E126510, 16 bytes long.
 Data: <8n  7           > 38 6E 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002371E126C40, 16 bytes long.
 Data: < n  7           > 10 6E 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002371E125DE0, 16 bytes long.
 Data: <&#176;R  7           > B0 52 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002371E1252B0, 40 bytes long.
 Data: <&#224;]  7   &#192;&#135;&#214; 7   > E0 5D 12 1E 37 02 00 00 C0 87 D6 1F 37 02 00 00 
{262} normal block at 0x000002371E1268D0, 16 bytes long.
 Data: <&#240;m  7           > F0 6D 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002371E126560, 16 bytes long.
 Data: <&#200;m  7           > C8 6D 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002371E1204C0, 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 0x000002371E126D30, 16 bytes long.
 Data: <&#160;m  7           > A0 6D 12 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002371E126DA0, 992 bytes long.
 Data: <0m  7   &#192;   7   > 30 6D 12 1E 37 02 00 00 C0 04 12 1E 37 02 00 00 
{94} normal block at 0x000002371E11FBC0, 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 0x000002371E11DF00, 16 bytes long.
 Data: <&#192;&#243;  7           > C0 F3 10 1E 37 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002371E10F3C0, 40 bytes long.
 Data: < &#223;  7   &#192;&#251;  7   > 00 DF 11 1E 37 02 00 00 C0 FB 11 1E 37 02 00 00 
{71} normal block at 0x000002371E11DEB0, 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 0x000002371E11DCD0, 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 0x000002371E11DBE0, 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 0x000002371E11E5E0, 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 0x000002371E11E2C0, 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 0x000002371E11E4A0, 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 0x000002371E11DE60, 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 0x000002371E11E180, 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 0x000002371E11D780, 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 0x000002371E11DB90, 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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