Task 38696990

Name test_146-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0340_0
Workunit 31637597
Created 1 Nov 2026, 7:22:49 UTC
Sent 1 Nov 2026, 7:22:50 UTC
Report deadline 6 Nov 2026, 7:22:50 UTC
Received 1 Nov 2026, 8:37:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 539913
Run time 1 hours 13 min 20 sec
CPU time 1 hours 7 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.82 MB
Peak swap size 9.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
02:24:12 (16540): wrapper (7.9.26016): starting
02:24:12 (16540): 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
02:24:13 (16540): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:24:13 (16540): 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\25\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\25\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: Exiting with failure status due to previous errors
03:36:23 (16540): C:/Windows/system32/cmd.exe exited; CPU time 4036.031250
03:36:23 (16540): called boinc_finish(0)
0 bytes in 0 Free Blocks.
534 bytes in 8 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: 70871887 bytes.
Dumping objects ->
{3835634} normal block at 0x0000000000496950, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835623} normal block at 0x00000000004968E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835612} normal block at 0x0000000000496560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835601} normal block at 0x00000000004963A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x0000000000496790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835559} normal block at 0x000000000257A730, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x00000000004EEA40, 139 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835545} normal block at 0x000000000048E8B0, 8 bytes long.
 Data: <  &#132;     > 00 00 84 00 00 00 00 00 
{3834737} normal block at 0x00000000004EE970, 139 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x000000000048E720, 8 bytes long.
 Data: < Q]     > 00 51 5D 02 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000000000492600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000000004871A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x0000000000496C10, 16 bytes long.
 Data: <&#184;}I             > B8 7D 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000000004978E0, 16 bytes long.
 Data: < }I             > 90 7D 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000000000490170, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x0000000000497890, 16 bytes long.
 Data: <h}I             > 68 7D 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000000004973E0, 16 bytes long.
 Data: <@}I             > 40 7D 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000000000497660, 16 bytes long.
 Data: < }I             > 18 7D 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000000004972A0, 16 bytes long.
 Data: <&#240;|I             > F0 7C 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000000000496330, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x0000000000496F80, 16 bytes long.
 Data: <XaI             > 58 61 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000000000490590, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x0000000000496E40, 16 bytes long.
 Data: <0aI             > 30 61 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000000000496B70, 16 bytes long.
 Data: < aI             > 08 61 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000000000496B20, 16 bytes long.
 Data: <&#224;`I             > E0 60 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000000004972F0, 16 bytes long.
 Data: <&#184;`I             > B8 60 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000000000497430, 16 bytes long.
 Data: < `I             > 90 60 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000000004971B0, 16 bytes long.
 Data: <h`I             > 68 60 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000000000490230, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x0000000000497110, 16 bytes long.
 Data: <@`I             > 40 60 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000000000496040, 320 bytes long.
 Data: < qI     0 I     > 10 71 49 00 00 00 00 00 30 02 49 00 00 00 00 00 
{283} normal block at 0x0000000000496AD0, 16 bytes long.
 Data: <&#208;|I             > D0 7C 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000000000496F30, 16 bytes long.
 Data: <&#168;|I             > A8 7C 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000000000490530, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x0000000000497390, 16 bytes long.
 Data: < |I             > 80 7C 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000000000490BF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x00000000004977F0, 16 bytes long.
 Data: <&#200;{I             > C8 7B 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000000000497340, 16 bytes long.
 Data: <&#160;{I             > A0 7B 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000000004977A0, 16 bytes long.
 Data: <x{I             > 78 7B 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000000000497750, 16 bytes long.
 Data: <P{I             > 50 7B 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000000000497A20, 16 bytes long.
 Data: <({I             > 28 7B 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000000000497700, 16 bytes long.
 Data: < {I             > 00 7B 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000000000497610, 16 bytes long.
 Data: <&#192;iI             > C0 69 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000000004969C0, 40 bytes long.
 Data: < vI     0&#167;W     > 10 76 49 00 00 00 00 00 30 A7 57 02 00 00 00 00 
{269} normal block at 0x0000000000497840, 16 bytes long.
 Data: <&#224;zI             > E0 7A 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000000004979D0, 16 bytes long.
 Data: <&#184;zI             > B8 7A 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000000000490D10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x0000000000496E90, 16 bytes long.
 Data: < zI             > 90 7A 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000000000497A90, 992 bytes long.
 Data: < nI       I     > 90 6E 49 00 00 00 00 00 10 0D 49 00 00 00 00 00 
{101} normal block at 0x0000000000490AD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000000000048E810, 16 bytes long.
 Data: <  H             > 10 03 48 00 00 00 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000000000480310, 40 bytes long.
 Data: < &#232;H     &#208; I     > 10 E8 48 00 00 00 00 00 D0 0A 49 00 00 00 00 00 
{78} normal block at 0x000000000048E3B0, 16 bytes long.
 Data: < &#234;y&#182;&#246;           > 80 EA 79 B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000000000048F210, 16 bytes long.
 Data: <@&#233;y&#182;&#246;           > 40 E9 79 B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000000000048F260, 16 bytes long.
 Data: <&#248;Wv&#182;&#246;           > F8 57 76 B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000000000048E6D0, 16 bytes long.
 Data: <&#216;Wv&#182;&#246;           > D8 57 76 B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000000000048F030, 16 bytes long.
 Data: <P v&#182;&#246;           > 50 04 76 B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000000000048F1C0, 16 bytes long.
 Data: <0 v&#182;&#246;           > 30 04 76 B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000000000048F300, 16 bytes long.
 Data: <&#224; v&#182;&#246;           > E0 02 76 B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000000000048EB80, 16 bytes long.
 Data: <  v&#182;&#246;           > 10 04 76 B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000000000048E860, 16 bytes long.
 Data: <p v&#182;&#246;           > 70 04 76 B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000000000048F170, 16 bytes long.
 Data: < &#192;t&#182;&#246;           > 18 C0 74 B6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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