Task 38689142

Name test_550-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1430_0
Workunit 31630417
Created 28 Oct 2026, 18:43:30 UTC
Sent 28 Oct 2026, 18:43:32 UTC
Report deadline 2 Nov 2026, 18:43:32 UTC
Received 28 Oct 2026, 19:02:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 18 min 33 sec
CPU time 16 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 91,065.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.94 MB
Peak swap size 19.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:44:29 (20728): wrapper (7.9.26016): starting
19:44:29 (20728): 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
19:44:30 (20728): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:44:30 (20728): 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\9\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\9\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
20:02:17 (20728): C:/Windows/system32/cmd.exe exited; CPU time 983.843750
20:02:17 (20728): 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: 19469397 bytes.
Dumping objects ->
{3835248} normal block at 0x0000023099659AB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000230996347E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000023099634CB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x0000023099634690, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000023099634B60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x000002309B4993F0, 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) : {3835160} normal block at 0x000002309962F0E0, 8 bytes long.
 Data: <  &#165; 0   > 00 00 A5 99 30 02 00 00 
{3833957} normal block at 0x000002309962F1D0, 8 bytes long.
 Data: < JR&#155;0   > 00 4A 52 9B 30 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023099630CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023099625530, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000023099635DB0, 16 bytes long.
 Data: <&#184;Rc 0           > B8 52 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023099635E50, 16 bytes long.
 Data: < Rc 0           > 90 52 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002309962EC30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000023099635950, 16 bytes long.
 Data: <hRc 0           > 68 52 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023099635FE0, 16 bytes long.
 Data: <@Rc 0           > 40 52 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023099635C70, 16 bytes long.
 Data: < Rc 0           > 18 52 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023099635AE0, 16 bytes long.
 Data: <&#240;Qc 0           > F0 51 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023099634A80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000230996356D0, 16 bytes long.
 Data: <&#184;Dc 0           > B8 44 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002309962EB10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000023099636210, 16 bytes long.
 Data: < Dc 0           > 90 44 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023099635770, 16 bytes long.
 Data: <hDc 0           > 68 44 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023099636260, 16 bytes long.
 Data: <@Dc 0           > 40 44 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023099635D60, 16 bytes long.
 Data: < Dc 0           > 18 44 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023099635CC0, 16 bytes long.
 Data: <&#240;Cc 0           > F0 43 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023099635860, 16 bytes long.
 Data: <&#200;Cc 0           > C8 43 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002309962E450, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000023099635630, 16 bytes long.
 Data: <&#160;Cc 0           > A0 43 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000230996343A0, 320 bytes long.
 Data: <0Vc 0   P&#228;b 0   > 30 56 63 99 30 02 00 00 50 E4 62 99 30 02 00 00 
{274} normal block at 0x0000023099635900, 16 bytes long.
 Data: <&#208;Qc 0           > D0 51 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000230996360D0, 16 bytes long.
 Data: <&#168;Qc 0           > A8 51 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002309962EC90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000023099635720, 16 bytes long.
 Data: < Qc 0           > 80 51 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002309962EE10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000023099635BD0, 16 bytes long.
 Data: <&#200;Pc 0           > C8 50 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000230996359A0, 16 bytes long.
 Data: <&#160;Pc 0           > A0 50 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023099635590, 16 bytes long.
 Data: <xPc 0           > 78 50 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023099635810, 16 bytes long.
 Data: <PPc 0           > 50 50 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023099635F40, 16 bytes long.
 Data: <(Pc 0           > 28 50 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002309962FDB0, 16 bytes long.
 Data: < Pc 0           > 00 50 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002309962FD60, 16 bytes long.
 Data: < Mc 0           > 20 4D 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023099634D20, 40 bytes long.
 Data: <`&#253;b 0   &#240;&#147;I&#155;0   > 60 FD 62 99 30 02 00 00 F0 93 49 9B 30 02 00 00 
{260} normal block at 0x000002309962F090, 16 bytes long.
 Data: <&#224;Oc 0           > E0 4F 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002309962F4A0, 16 bytes long.
 Data: <&#184;Oc 0           > B8 4F 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002309962EBD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002309962FF90, 16 bytes long.
 Data: < Oc 0           > 90 4F 63 99 30 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023099634F90, 992 bytes long.
 Data: < &#255;b 0   &#208;&#235;b 0   > 90 FF 62 99 30 02 00 00 D0 EB 62 99 30 02 00 00 
{92} normal block at 0x000002309962E870, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002309962F400, 16 bytes long.
 Data: <@&#189;a 0           > 40 BD 61 99 30 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002309961BD40, 40 bytes long.
 Data: < &#244;b 0   p&#232;b 0   > 00 F4 62 99 30 02 00 00 70 E8 62 99 30 02 00 00 
{69} normal block at 0x000002309962F3B0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002309962F5E0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002309962FEA0, 16 bytes long.
 Data: <&#248;W&#138; &#246;           > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002309962F040, 16 bytes long.
 Data: <&#216;W&#138; &#246;           > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002309962FEF0, 16 bytes long.
 Data: <P &#138; &#246;           > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002309962F9A0, 16 bytes long.
 Data: <0 &#138; &#246;           > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002309962FB80, 16 bytes long.
 Data: <&#224; &#138; &#246;           > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002309962FA40, 16 bytes long.
 Data: <  &#138; &#246;           > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002309962F630, 16 bytes long.
 Data: <p &#138; &#246;           > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002309962FE00, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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