Task 38679382

Name test_532-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND5048_0
Workunit 31621158
Created 26 Oct 2026, 20:21:43 UTC
Sent 26 Oct 2026, 20:21:45 UTC
Report deadline 31 Oct 2026, 20:21:45 UTC
Received 26 Oct 2026, 21:37:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653122
Run time 25 min 2 sec
CPU time 21 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 47,850.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.59 MB
Peak swap size 9.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:13:09 (42424): wrapper (7.9.26016): starting
22:13:09 (42424): 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
22:13:10 (42424): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:13:10 (42424): 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\1\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\1\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
22:36:38 (42424): C:/Windows/system32/cmd.exe exited; CPU time 1314.218750
22:36:38 (42424): 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: 28673855 bytes.
Dumping objects ->
{3835202} normal block at 0x000002352015D1F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000002352015CD90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x000002352015D6C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x000002352015D0A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x000002351E335000, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x00000235201A7190, 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) : {3835114} normal block at 0x000002351E32FC20, 8 bytes long.
 Data: <    5   > 00 00 9D 1E 35 02 00 00 
{3833965} normal block at 0x000002351E32FB30, 8 bytes long.
 Data: < >  5   > 10 3E 20 20 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002351E330FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002351E3261D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002351E335D80, 16 bytes long.
 Data: <&#248;Z3 5           > F8 5A 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002351E336410, 16 bytes long.
 Data: <&#208;Z3 5           > D0 5A 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002351E32E110, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002351E3367D0, 16 bytes long.
 Data: <&#168;Z3 5           > A8 5A 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002351E3363C0, 16 bytes long.
 Data: < Z3 5           > 80 5A 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002351E335D30, 16 bytes long.
 Data: <XZ3 5           > 58 5A 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002351E3360F0, 16 bytes long.
 Data: <0Z3 5           > 30 5A 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002351E334BA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002351E3361E0, 16 bytes long.
 Data: < &#245;1 5           > 98 F5 31 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002351E32DC30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002351E3362D0, 16 bytes long.
 Data: <p&#245;1 5           > 70 F5 31 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002351E3366E0, 16 bytes long.
 Data: <H&#245;1 5           > 48 F5 31 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002351E3360A0, 16 bytes long.
 Data: < &#245;1 5           > 20 F5 31 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002351E3365A0, 16 bytes long.
 Data: <&#248;&#244;1 5           > F8 F4 31 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002351E336780, 16 bytes long.
 Data: <&#208;&#244;1 5           > D0 F4 31 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002351E335CE0, 16 bytes long.
 Data: <&#168;&#244;1 5           > A8 F4 31 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002351E32DBD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002351E3368C0, 16 bytes long.
 Data: < &#244;1 5           > 80 F4 31 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002351E31F480, 320 bytes long.
 Data: <&#192;h3 5   &#208;&#219;2 5   > C0 68 33 1E 35 02 00 00 D0 DB 32 1E 35 02 00 00 
{278} normal block at 0x000002351E336B90, 16 bytes long.
 Data: < Z3 5           > 10 5A 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002351E335C90, 16 bytes long.
 Data: <&#232;Y3 5           > E8 59 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002351E32E350, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002351E336730, 16 bytes long.
 Data: <&#192;Y3 5           > C0 59 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002351E32DAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002351E336370, 16 bytes long.
 Data: < Y3 5           > 08 59 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002351E336820, 16 bytes long.
 Data: <&#224;X3 5           > E0 58 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002351E335C40, 16 bytes long.
 Data: <&#184;X3 5           > B8 58 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002351E336000, 16 bytes long.
 Data: < X3 5           > 90 58 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002351E336320, 16 bytes long.
 Data: <hX3 5           > 68 58 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002351E32F770, 16 bytes long.
 Data: <@X3 5           > 40 58 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002351E32F630, 16 bytes long.
 Data: <pP3 5           > 70 50 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002351E335070, 40 bytes long.
 Data: <0&#246;2 5    q  5   > 30 F6 32 1E 35 02 00 00 90 71 1A 20 35 02 00 00 
{264} normal block at 0x000002351E32F590, 16 bytes long.
 Data: < X3 5           > 20 58 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002351E32F180, 16 bytes long.
 Data: <&#248;W3 5           > F8 57 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002351E32D810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002351E32F090, 16 bytes long.
 Data: <&#208;W3 5           > D0 57 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002351E3357D0, 992 bytes long.
 Data: < &#240;2 5    &#216;2 5   > 90 F0 32 1E 35 02 00 00 10 D8 32 1E 35 02 00 00 
{96} normal block at 0x000002351E32D690, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002351E32F7C0, 16 bytes long.
 Data: <&#192;J3 5           > C0 4A 33 1E 35 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002351E334AC0, 40 bytes long.
 Data: <&#192;&#247;2 5    &#214;2 5   > C0 F7 32 1E 35 02 00 00 90 D6 32 1E 35 02 00 00 
{73} normal block at 0x000002351E32EFA0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002351E32F9F0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002351E32FA90, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002351E32F360, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002351E32FA40, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002351E32FB80, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002351E32F680, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002351E32F810, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002351E32FD10, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002351E32FAE0, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 15 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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