Task 38662680

Name test_152-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND2262_0
Workunit 31605923
Created 24 Oct 2026, 20:12:30 UTC
Sent 24 Oct 2026, 20:13:11 UTC
Report deadline 29 Oct 2026, 20:13:11 UTC
Received 25 Oct 2026, 1:57:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 42 min 59 sec
CPU time 36 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.92 MB
Peak swap size 3.85 GB
Peak disk usage 3.61 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:41:47 (31800): wrapper (7.9.26016): starting
22:41:47 (31800): 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
22:42:04 (31800): Library/usr/bin/tar.exe exited; CPU time 0.062500
22:42:04 (31800): 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 'E:\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 'E:\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
23:22:28 (31800): C:/Windows/system32/cmd.exe exited; CPU time 2173.187500
23:22:28 (31800): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 45231815 bytes.
Dumping objects ->
{3835197} normal block at 0x00000214107DE950, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x0000021412435120, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x00000214124353C0, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x0000021412434B20, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x0000021412435240, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x00000214107DEE20, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x00000214107D8060, 8 bytes long.
 Data: <  +     > 00 00 2B 12 14 02 00 00 
{3833953} normal block at 0x00000214107D79D0, 8 bytes long.
 Data: < &#130;      > 00 82 80 10 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000214107E1DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000214107C6140, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000214107E3990, 16 bytes long.
 Data: <&#184;>~             > B8 3E 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000214107E2C70, 16 bytes long.
 Data: < >~             > 90 3E 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000214107DD2A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000214107E38F0, 16 bytes long.
 Data: <h>~             > 68 3E 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000214107E3850, 16 bytes long.
 Data: <@>~             > 40 3E 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000214107E3800, 16 bytes long.
 Data: < >~             > 18 3E 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000214107E37B0, 16 bytes long.
 Data: <&#240;=~             > F0 3D 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000214107DEA30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000214107E3760, 16 bytes long.
 Data: <&#216;`|             > D8 60 7C 10 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000214107DC880, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000214107E3530, 16 bytes long.
 Data: <&#176;`|             > B0 60 7C 10 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000214107E2D60, 16 bytes long.
 Data: < `|             > 88 60 7C 10 14 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000214107E34E0, 16 bytes long.
 Data: <``|             > 60 60 7C 10 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000214107E2EA0, 16 bytes long.
 Data: <8`|             > 38 60 7C 10 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000214107E32B0, 16 bytes long.
 Data: < `|             > 10 60 7C 10 14 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000214107E3210, 16 bytes long.
 Data: <&#232;_|             > E8 5F 7C 10 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000214107DD540, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000214107E2DB0, 16 bytes long.
 Data: <&#192;_|             > C0 5F 7C 10 14 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000214107C5FC0, 320 bytes long.
 Data: <&#176;-~     @&#213;}     > B0 2D 7E 10 14 02 00 00 40 D5 7D 10 14 02 00 00 
{272} normal block at 0x00000214107E3710, 16 bytes long.
 Data: <&#208;=~             > D0 3D 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000214107E3670, 16 bytes long.
 Data: <&#168;=~             > A8 3D 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000214107DD420, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000214107E3620, 16 bytes long.
 Data: < =~             > 80 3D 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000214107DCBE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000214107E3490, 16 bytes long.
 Data: <&#200;<~             > C8 3C 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000214107E30D0, 16 bytes long.
 Data: <&#160;<~             > A0 3C 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000214107E3A30, 16 bytes long.
 Data: <x<~             > 78 3C 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000214107E2CC0, 16 bytes long.
 Data: <P<~             > 50 3C 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000214107E3350, 16 bytes long.
 Data: <(<~             > 28 3C 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000214107E31C0, 16 bytes long.
 Data: < <~             > 00 3C 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000214107E3030, 16 bytes long.
 Data: <`&#236;}             > 60 EC 7D 10 14 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000214107DEC60, 40 bytes long.
 Data: <00~      &#238;}     > 30 30 7E 10 14 02 00 00 20 EE 7D 10 14 02 00 00 
{258} normal block at 0x00000214107E3080, 16 bytes long.
 Data: <&#224;;~             > E0 3B 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000214107E35D0, 16 bytes long.
 Data: <&#184;;~             > B8 3B 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000214107DCE20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000214107E2F40, 16 bytes long.
 Data: < ;~             > 90 3B 7E 10 14 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000214107E3B90, 992 bytes long.
 Data: <@/~      &#206;}     > 40 2F 7E 10 14 02 00 00 20 CE 7D 10 14 02 00 00 
{90} normal block at 0x00000214107DC7C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000214107D7980, 16 bytes long.
 Data: < &#238;}             > 90 EE 7D 10 14 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000214107DEE90, 40 bytes long.
 Data: < y}     &#192;&#199;}     > 80 79 7D 10 14 02 00 00 C0 C7 7D 10 14 02 00 00 
{67} normal block at 0x00000214107D7CF0, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000214107D8100, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000214107D80B0, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000214107D7ED0, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000214107D8290, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000214107D84C0, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000214107D86A0, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000214107D8420, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000214107D7FC0, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000214107D8740, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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