Task 38686038

Name test_393-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2509_0
Workunit 31627487
Created 28 Oct 2026, 0:18:19 UTC
Sent 28 Oct 2026, 0:18:24 UTC
Report deadline 2 Nov 2026, 0:18:24 UTC
Received 28 Oct 2026, 1:18:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 58 min 22 sec
CPU time 51 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.16 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
20:19:56 (60388): wrapper (7.9.26016): starting
20:19:56 (60388): 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
20:19:57 (60388): Library/usr/bin/tar.exe exited; CPU time 0.031250
20:19:57 (60388): 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\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 'C:\ProgramData\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
21:17:33 (60388): C:/Windows/system32/cmd.exe exited; CPU time 3091.015625
21:17:33 (60388): 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: 82522221 bytes.
Dumping objects ->
{3835500} normal block at 0x0000028B537148A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000028B537149F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x0000028B53714670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x0000028B53714600, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000028B53714BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x0000028B55584D80, 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) : {3835412} normal block at 0x0000028B5370E920, 8 bytes long.
 Data: <  &#198;S&#139;   > 00 00 C6 53 8B 02 00 00 
{3833959} normal block at 0x0000028B5370EC40, 8 bytes long.
 Data: < F^U&#139;   > 10 46 5E 55 8B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000028B53710B70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028B53706810, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000028B53715A60, 16 bytes long.
 Data: < dqS&#139;           > 88 64 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028B53715420, 16 bytes long.
 Data: <`dqS&#139;           > 60 64 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028B53710200, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000028B537153D0, 16 bytes long.
 Data: <8dqS&#139;           > 38 64 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028B53715560, 16 bytes long.
 Data: < dqS&#139;           > 10 64 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028B53715A10, 16 bytes long.
 Data: <&#232;cqS&#139;           > E8 63 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028B53715380, 16 bytes long.
 Data: <&#192;cqS&#139;           > C0 63 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028B53714AD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000028B53715E20, 16 bytes long.
 Data: <x&#232;oS&#139;           > 78 E8 6F 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028B5370FDE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000028B537159C0, 16 bytes long.
 Data: <P&#232;oS&#139;           > 50 E8 6F 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028B53715970, 16 bytes long.
 Data: <(&#232;oS&#139;           > 28 E8 6F 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028B537160F0, 16 bytes long.
 Data: < &#232;oS&#139;           > 00 E8 6F 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028B53715650, 16 bytes long.
 Data: <&#216;&#231;oS&#139;           > D8 E7 6F 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028B53715880, 16 bytes long.
 Data: <&#176;&#231;oS&#139;           > B0 E7 6F 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028B53715510, 16 bytes long.
 Data: < &#231;oS&#139;           > 88 E7 6F 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028B5370FA80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000028B53715830, 16 bytes long.
 Data: <`&#231;oS&#139;           > 60 E7 6F 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028B536FE760, 320 bytes long.
 Data: <0XqS&#139;    &#250;pS&#139;   > 30 58 71 53 8B 02 00 00 80 FA 70 53 8B 02 00 00 
{275} normal block at 0x0000028B53715600, 16 bytes long.
 Data: <&#160;cqS&#139;           > A0 63 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028B537152E0, 16 bytes long.
 Data: <xcqS&#139;           > 78 63 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028B5370FAE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000028B53715790, 16 bytes long.
 Data: <PcqS&#139;           > 50 63 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028B537102C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000028B53715290, 16 bytes long.
 Data: < bqS&#139;           > 98 62 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028B53715BF0, 16 bytes long.
 Data: <pbqS&#139;           > 70 62 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028B53715B00, 16 bytes long.
 Data: <HbqS&#139;           > 48 62 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028B53715D30, 16 bytes long.
 Data: < bqS&#139;           > 20 62 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028B53716000, 16 bytes long.
 Data: <&#248;aqS&#139;           > F8 61 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028B53715240, 16 bytes long.
 Data: <&#208;aqS&#139;           > D0 61 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028B53715330, 16 bytes long.
 Data: < LqS&#139;           > 90 4C 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028B53714C90, 40 bytes long.
 Data: <0SqS&#139;    MXU&#139;   > 30 53 71 53 8B 02 00 00 80 4D 58 55 8B 02 00 00 
{261} normal block at 0x0000028B53715740, 16 bytes long.
 Data: <&#176;aqS&#139;           > B0 61 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028B53715C40, 16 bytes long.
 Data: < aqS&#139;           > 88 61 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028B5370FC00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000028B53715CE0, 16 bytes long.
 Data: <`aqS&#139;           > 60 61 71 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028B53716160, 992 bytes long.
 Data: <&#224;\qS&#139;    &#252;pS&#139;   > E0 5C 71 53 8B 02 00 00 00 FC 70 53 8B 02 00 00 
{93} normal block at 0x0000028B537103E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000028B5370F500, 16 bytes long.
 Data: <@&#193;oS&#139;           > 40 C1 6F 53 8B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000028B536FC140, 40 bytes long.
 Data: < &#245;pS&#139;   &#224; qS&#139;   > 00 F5 70 53 8B 02 00 00 E0 03 71 53 8B 02 00 00 
{70} normal block at 0x0000028B5370EBA0, 16 bytes long.
 Data: < &#234;&#203;e&#247;           > 80 EA CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028B5370F370, 16 bytes long.
 Data: <@&#233;&#203;e&#247;           > 40 E9 CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028B5370EA60, 16 bytes long.
 Data: <&#248;W&#200;e&#247;           > F8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028B5370ED80, 16 bytes long.
 Data: <&#216;W&#200;e&#247;           > D8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028B5370F3C0, 16 bytes long.
 Data: <P &#200;e&#247;           > 50 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028B5370F140, 16 bytes long.
 Data: <0 &#200;e&#247;           > 30 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028B5370F410, 16 bytes long.
 Data: <&#224; &#200;e&#247;           > E0 02 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028B5370EBF0, 16 bytes long.
 Data: <  &#200;e&#247;           > 10 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028B5370F050, 16 bytes long.
 Data: <p &#200;e&#247;           > 70 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028B5370EE70, 16 bytes long.
 Data: < &#192;&#198;e&#247;           > 18 C0 C6 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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