Task 38687191

Name test_373-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND5083_0
Workunit 31628589
Created 28 Oct 2026, 6:27:59 UTC
Sent 28 Oct 2026, 6:27:59 UTC
Report deadline 2 Nov 2026, 6:27:59 UTC
Received 28 Oct 2026, 6:50:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641051
Run time 21 min 9 sec
CPU time 19 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.15 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:29:58 (13448): wrapper (7.9.26016): starting
02:29:58 (13448): 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
02:29:59 (13448): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:29:59 (13448): 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\32\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\32\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
02:49:16 (13448): C:/Windows/system32/cmd.exe exited; CPU time 1144.875000
02:49:16 (13448): 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: 24600911 bytes.
Dumping objects ->
{3835197} normal block at 0x000001D0E8333B40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001D0E8333BB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001D0E8333AD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000001D0E83339F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001D0E8333A60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000001D0EA4D9660, 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) : {3835109} normal block at 0x000001D0E832E4A0, 8 bytes long.
 Data: <   &#232;&#208;   > 00 00 17 E8 D0 01 00 00 
{3833959} normal block at 0x000001D0E832E680, 8 bytes long.
 Data: <0 S&#234;&#208;   > 30 13 53 EA D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D0E8325A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D0E83305E0, 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 0x000001D0E8334E60, 16 bytes long.
 Data: < W3&#232;&#208;           > 98 57 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D0E83348C0, 16 bytes long.
 Data: <pW3&#232;&#208;           > 70 57 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D0E832F630, 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 0x000001D0E83353B0, 16 bytes long.
 Data: <HW3&#232;&#208;           > 48 57 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D0E8334640, 16 bytes long.
 Data: < W3&#232;&#208;           > 20 57 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D0E8334E10, 16 bytes long.
 Data: <&#248;V3&#232;&#208;           > F8 56 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D0E8334B90, 16 bytes long.
 Data: <&#208;V3&#232;&#208;           > D0 56 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D0E8333D70, 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 0x000001D0E83345F0, 16 bytes long.
 Data: <X&#224;1&#232;&#208;           > 58 E0 31 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D0E832F690, 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 0x000001D0E8334FF0, 16 bytes long.
 Data: <0&#224;1&#232;&#208;           > 30 E0 31 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D0E8335130, 16 bytes long.
 Data: < &#224;1&#232;&#208;           > 08 E0 31 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D0E8334C30, 16 bytes long.
 Data: <&#224;&#223;1&#232;&#208;           > E0 DF 31 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D0E8334A50, 16 bytes long.
 Data: <&#184;&#223;1&#232;&#208;           > B8 DF 31 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D0E8334DC0, 16 bytes long.
 Data: < &#223;1&#232;&#208;           > 90 DF 31 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D0E8334730, 16 bytes long.
 Data: <h&#223;1&#232;&#208;           > 68 DF 31 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D0E832EB50, 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 0x000001D0E8334D70, 16 bytes long.
 Data: <@&#223;1&#232;&#208;           > 40 DF 31 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D0E831DF40, 320 bytes long.
 Data: <pM3&#232;&#208;   P&#235;2&#232;&#208;   > 70 4D 33 E8 D0 01 00 00 50 EB 32 E8 D0 01 00 00 
{275} normal block at 0x000001D0E8334B40, 16 bytes long.
 Data: <&#176;V3&#232;&#208;           > B0 56 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D0E8334BE0, 16 bytes long.
 Data: < V3&#232;&#208;           > 88 56 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D0E832EBB0, 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 0x000001D0E8334D20, 16 bytes long.
 Data: <`V3&#232;&#208;           > 60 56 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D0E832F030, 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 0x000001D0E8335090, 16 bytes long.
 Data: <&#168;U3&#232;&#208;           > A8 55 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D0E8334AA0, 16 bytes long.
 Data: < U3&#232;&#208;           > 80 55 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D0E8334F00, 16 bytes long.
 Data: <XU3&#232;&#208;           > 58 55 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D0E83345A0, 16 bytes long.
 Data: <0U3&#232;&#208;           > 30 55 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D0E8334960, 16 bytes long.
 Data: < U3&#232;&#208;           > 08 55 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D0E83346E0, 16 bytes long.
 Data: <&#224;T3&#232;&#208;           > E0 54 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D0E8334CD0, 16 bytes long.
 Data: <&#192;>3&#232;&#208;           > C0 3E 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D0E8333EC0, 40 bytes long.
 Data: <&#208;L3&#232;&#208;   `&#150;M&#234;&#208;   > D0 4C 33 E8 D0 01 00 00 60 96 4D EA D0 01 00 00 
{261} normal block at 0x000001D0E8334C80, 16 bytes long.
 Data: <&#192;T3&#232;&#208;           > C0 54 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D0E8334550, 16 bytes long.
 Data: < T3&#232;&#208;           > 98 54 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D0E832F6F0, 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 0x000001D0E8335360, 16 bytes long.
 Data: <pT3&#232;&#208;           > 70 54 33 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D0E8335470, 992 bytes long.
 Data: <`S3&#232;&#208;   &#240;&#246;2&#232;&#208;   > 60 53 33 E8 D0 01 00 00 F0 F6 32 E8 D0 01 00 00 
{93} normal block at 0x000001D0E832F090, 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 0x000001D0E832E450, 16 bytes long.
 Data: < &#194;1&#232;&#208;           > 00 C2 31 E8 D0 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001D0E831C200, 40 bytes long.
 Data: <P&#228;2&#232;&#208;    &#240;2&#232;&#208;   > 50 E4 32 E8 D0 01 00 00 90 F0 32 E8 D0 01 00 00 
{70} normal block at 0x000001D0E832E5E0, 16 bytes long.
 Data: < &#234;&#216;&#160;&#247;           > 80 EA D8 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D0E832E590, 16 bytes long.
 Data: <@&#233;&#216;&#160;&#247;           > 40 E9 D8 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D0E832DDC0, 16 bytes long.
 Data: <&#248;W&#213;&#160;&#247;           > F8 57 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D0E832E7C0, 16 bytes long.
 Data: <&#216;W&#213;&#160;&#247;           > D8 57 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D0E832E630, 16 bytes long.
 Data: <P &#213;&#160;&#247;           > 50 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D0E832E860, 16 bytes long.
 Data: <0 &#213;&#160;&#247;           > 30 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D0E832DB90, 16 bytes long.
 Data: <&#224; &#213;&#160;&#247;           > E0 02 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D0E832E770, 16 bytes long.
 Data: <  &#213;&#160;&#247;           > 10 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D0E832E0E0, 16 bytes long.
 Data: <p &#213;&#160;&#247;           > 70 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D0E832D960, 16 bytes long.
 Data: < &#192;&#211;&#160;&#247;           > 18 C0 D3 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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