Task 38655583

Name test_556-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND0069_0
Workunit 31599336
Created 24 Oct 2026, 9:43:04 UTC
Sent 24 Oct 2026, 9:43:05 UTC
Report deadline 29 Oct 2026, 9:43:05 UTC
Received 24 Oct 2026, 11:55:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613000
Run time 1 hours 9 min 45 sec
CPU time 1 hours 2 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 3,094.79 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.63 MB
Peak swap size 2.17 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:29:12 (30096): wrapper (7.9.26016): starting
17:29:12 (30096): 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
17:29:37 (30096): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:29:37 (30096): 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
18:54:45 (30096): C:/Windows/system32/cmd.exe exited; CPU time 3722.796875
18:54:45 (30096): 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: 105962791 bytes.
Dumping objects ->
{3835216} normal block at 0x00000219C90108B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x00000219C9011640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000219C90111E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835183} normal block at 0x00000219C9011020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000219C9011170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835141} normal block at 0x00000219C91B8A60, 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) : {3835128} normal block at 0x00000219C76974C0, 8 bytes long.
 Data: <   &#201;    > 00 00 02 C9 19 02 00 00 
{3833963} normal block at 0x00000219C76976A0, 8 bytes long.
 Data: <0#j&#199;    > 30 23 6A C7 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000219C76A39C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000219C7686A50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000219C76A5090, 16 bytes long.
 Data: <xlj&#199;            > 78 6C 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000219C76A4C30, 16 bytes long.
 Data: <Plj&#199;            > 50 6C 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000219C769CC40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000219C76A4A50, 16 bytes long.
 Data: <(lj&#199;            > 28 6C 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000219C76A49B0, 16 bytes long.
 Data: < lj&#199;            > 00 6C 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000219C76A4960, 16 bytes long.
 Data: <&#216;kj&#199;            > D8 6B 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000219C76A4A00, 16 bytes long.
 Data: <&#176;kj&#199;            > B0 6B 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000219C769D0E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000219C76A5040, 16 bytes long.
 Data: <&#232;ih&#199;            > E8 69 68 C7 19 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000219C769C640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000219C76A4910, 16 bytes long.
 Data: <&#192;ih&#199;            > C0 69 68 C7 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000219C76A48C0, 16 bytes long.
 Data: < ih&#199;            > 98 69 68 C7 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000219C76A4F50, 16 bytes long.
 Data: <pih&#199;            > 70 69 68 C7 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000219C76A4870, 16 bytes long.
 Data: <Hih&#199;            > 48 69 68 C7 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000219C76A4FA0, 16 bytes long.
 Data: < ih&#199;            > 20 69 68 C7 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000219C76A47D0, 16 bytes long.
 Data: <&#248;hh&#199;            > F8 68 68 C7 19 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000219C769C9A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000219C76A5680, 16 bytes long.
 Data: <&#208;hh&#199;            > D0 68 68 C7 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000219C76868D0, 320 bytes long.
 Data: < Vj&#199;    &#160;&#201;i&#199;    > 80 56 6A C7 19 02 00 00 A0 C9 69 C7 19 02 00 00 
{277} normal block at 0x00000219C76A4FF0, 16 bytes long.
 Data: < kj&#199;            > 90 6B 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000219C76A5220, 16 bytes long.
 Data: <hkj&#199;            > 68 6B 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000219C769BFE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000219C76A4BE0, 16 bytes long.
 Data: <@kj&#199;            > 40 6B 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000219C769C940, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000219C76A51D0, 16 bytes long.
 Data: < jj&#199;            > 88 6A 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000219C76A5270, 16 bytes long.
 Data: <`jj&#199;            > 60 6A 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000219C76A5180, 16 bytes long.
 Data: <8jj&#199;            > 38 6A 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000219C76A5720, 16 bytes long.
 Data: < jj&#199;            > 10 6A 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000219C76A4B90, 16 bytes long.
 Data: <&#232;ij&#199;            > E8 69 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000219C76A4F00, 16 bytes long.
 Data: <&#192;ij&#199;            > C0 69 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000219C76A56D0, 16 bytes long.
 Data: <&#240;&#211;i&#199;            > F0 D3 69 C7 19 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000219C769D3F0, 40 bytes long.
 Data: <&#208;Vj&#199;    `&#138; &#201;    > D0 56 6A C7 19 02 00 00 60 8A 1B C9 19 02 00 00 
{263} normal block at 0x00000219C76A54A0, 16 bytes long.
 Data: <&#160;ij&#199;            > A0 69 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000219C76A54F0, 16 bytes long.
 Data: <xij&#199;            > 78 69 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000219C769CCA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000219C76A55E0, 16 bytes long.
 Data: <Pij&#199;            > 50 69 6A C7 19 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000219C76A6950, 992 bytes long.
 Data: <&#224;Uj&#199;    &#160;&#204;i&#199;    > E0 55 6A C7 19 02 00 00 A0 CC 69 C7 19 02 00 00 
{95} normal block at 0x00000219C769C760, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000219C76971F0, 16 bytes long.
 Data: <&#160;&#210;i&#199;            > A0 D2 69 C7 19 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000219C769D2A0, 40 bytes long.
 Data: <&#240;qi&#199;    `&#199;i&#199;    > F0 71 69 C7 19 02 00 00 60 C7 69 C7 19 02 00 00 
{72} normal block at 0x00000219C7697AB0, 16 bytes long.
 Data: < &#234;% &#247;           > 80 EA 25 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000219C76979C0, 16 bytes long.
 Data: <@&#233;% &#247;           > 40 E9 25 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000219C7698000, 16 bytes long.
 Data: <&#248;W" &#247;           > F8 57 22 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000219C76977E0, 16 bytes long.
 Data: <&#216;W" &#247;           > D8 57 22 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000219C7698140, 16 bytes long.
 Data: <P " &#247;           > 50 04 22 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000219C7697FB0, 16 bytes long.
 Data: <0 " &#247;           > 30 04 22 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000219C7697F60, 16 bytes long.
 Data: <&#224; " &#247;           > E0 02 22 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000219C7698050, 16 bytes long.
 Data: <  " &#247;           > 10 04 22 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000219C7697EC0, 16 bytes long.
 Data: <p " &#247;           > 70 04 22 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000219C7697E70, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 20 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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