Task 38695985

Name test_94-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND4104_1
Workunit 31620394
Created 31 Oct 2026, 17:53:12 UTC
Sent 31 Oct 2026, 17:53:15 UTC
Report deadline 5 Nov 2026, 17:53:15 UTC
Received 31 Oct 2026, 21:40:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652029
Run time 36 min 24 sec
CPU time 34 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.85 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:04:12 (23508): wrapper (7.9.26016): starting
15:04:12 (23508): 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
15:04:13 (23508): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:04:13 (23508): 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 'D:\BOINC\slots\26\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 'D:\BOINC\slots\26\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
15:40:02 (23508): C:/Windows/system32/cmd.exe exited; CPU time 2074.906250
15:40:02 (23508): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 35128819 bytes.
Dumping objects ->
{3835467} normal block at 0x0000017AE3E14120, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835456} normal block at 0x0000017AE5BB1AC0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835445} normal block at 0x0000017AE5BB1580, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835434} normal block at 0x0000017AE5BB1820, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835423} normal block at 0x0000017AE5BB0800, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835392} normal block at 0x0000017AE3E143C0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835379} normal block at 0x0000017AE3E0DDD0, 8 bytes long.
 Data: <  &#219;&#227;z   > 00 00 DB E3 7A 01 00 00 
{3833945} normal block at 0x0000017AE3E0DFB0, 8 bytes long.
 Data: <&#240;&#212;&#183;&#229;z   > F0 D4 B7 E5 7A 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000017AE3E10340, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017AE3DFF8E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000017AE3E15170, 16 bytes long.
 Data: <HN&#225;&#227;z           > 48 4E E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017AE3E15800, 16 bytes long.
 Data: < N&#225;&#227;z           > 20 4E E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017AE3E0F450, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000017AE3E152B0, 16 bytes long.
 Data: <&#248;M&#225;&#227;z           > F8 4D E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017AE3E15DA0, 16 bytes long.
 Data: <&#208;M&#225;&#227;z           > D0 4D E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017AE3E15490, 16 bytes long.
 Data: <&#168;M&#225;&#227;z           > A8 4D E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017AE3E15440, 16 bytes long.
 Data: < M&#225;&#227;z           > 80 4D E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017AE3E142E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000017AE3E15A80, 16 bytes long.
 Data: <( &#224;&#227;z           > 28 00 E0 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017AE3E0F390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000017AE3E15120, 16 bytes long.
 Data: <  &#224;&#227;z           > 00 00 E0 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017AE3E15850, 16 bytes long.
 Data: <&#216;&#255;&#223;&#227;z           > D8 FF DF E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017AE3E15300, 16 bytes long.
 Data: <&#176;&#255;&#223;&#227;z           > B0 FF DF E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017AE3E15E90, 16 bytes long.
 Data: < &#255;&#223;&#227;z           > 88 FF DF E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017AE3E15210, 16 bytes long.
 Data: <`&#255;&#223;&#227;z           > 60 FF DF E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017AE3E15D50, 16 bytes long.
 Data: <8&#255;&#223;&#227;z           > 38 FF DF E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017AE3E0F2D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000017AE3E15CB0, 16 bytes long.
 Data: < &#255;&#223;&#227;z           > 10 FF DF E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017AE3DFFF10, 320 bytes long.
 Data: <&#176;\&#225;&#227;z   &#208;&#242;&#224;&#227;z   > B0 5C E1 E3 7A 01 00 00 D0 F2 E0 E3 7A 01 00 00 
{268} normal block at 0x0000017AE3E153F0, 16 bytes long.
 Data: <`M&#225;&#227;z           > 60 4D E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017AE3E150D0, 16 bytes long.
 Data: <8M&#225;&#227;z           > 38 4D E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017AE3E0EEB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000017AE3E15B20, 16 bytes long.
 Data: < M&#225;&#227;z           > 10 4D E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017AE3E0EC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000017AE3E15E40, 16 bytes long.
 Data: <XL&#225;&#227;z           > 58 4C E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017AE3E15940, 16 bytes long.
 Data: <0L&#225;&#227;z           > 30 4C E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017AE3E15D00, 16 bytes long.
 Data: < L&#225;&#227;z           > 08 4C E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017AE3E15760, 16 bytes long.
 Data: <&#224;K&#225;&#227;z           > E0 4B E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017AE3E158F0, 16 bytes long.
 Data: <&#184;K&#225;&#227;z           > B8 4B E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017AE3E0E7D0, 16 bytes long.
 Data: < K&#225;&#227;z           > 90 4B E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017AE3E0E780, 16 bytes long.
 Data: < E&#225;&#227;z           > 10 45 E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017AE3E14510, 40 bytes long.
 Data: < &#231;&#224;&#227;z   &#192;C&#225;&#227;z   > 80 E7 E0 E3 7A 01 00 00 C0 43 E1 E3 7A 01 00 00 
{254} normal block at 0x0000017AE3E0E550, 16 bytes long.
 Data: <pK&#225;&#227;z           > 70 4B E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000017AE3E0E4B0, 16 bytes long.
 Data: <HK&#225;&#227;z           > 48 4B E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017AE3E0F810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000017AE3E0E410, 16 bytes long.
 Data: < K&#225;&#227;z           > 20 4B E1 E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000017AE3E14B20, 992 bytes long.
 Data: < &#228;&#224;&#227;z    &#248;&#224;&#227;z   > 10 E4 E0 E3 7A 01 00 00 10 F8 E0 E3 7A 01 00 00 
{86} normal block at 0x0000017AE3E0F8D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000017AE3E0DC40, 16 bytes long.
 Data: <&#208;&#225;&#223;&#227;z           > D0 E1 DF E3 7A 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000017AE3DFE1D0, 40 bytes long.
 Data: <@&#220;&#224;&#227;z   &#208;&#248;&#224;&#227;z   > 40 DC E0 E3 7A 01 00 00 D0 F8 E0 E3 7A 01 00 00 
{63} normal block at 0x0000017AE3E0DD30, 16 bytes long.
 Data: < &#234; -&#247;           > 80 EA 06 2D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017AE3E0E6E0, 16 bytes long.
 Data: <@&#233; -&#247;           > 40 E9 06 2D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017AE3E0E3C0, 16 bytes long.
 Data: <&#248;W -&#247;           > F8 57 03 2D F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017AE3E0E460, 16 bytes long.
 Data: <&#216;W -&#247;           > D8 57 03 2D F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017AE3E0DCE0, 16 bytes long.
 Data: <P  -&#247;           > 50 04 03 2D F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017AE3E0DBA0, 16 bytes long.
 Data: <0  -&#247;           > 30 04 03 2D F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017AE3E0DF60, 16 bytes long.
 Data: <&#224;  -&#247;           > E0 02 03 2D F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017AE3E0EA00, 16 bytes long.
 Data: <   -&#247;           > 10 04 03 2D F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000017AE3E0E640, 16 bytes long.
 Data: <p  -&#247;           > 70 04 03 2D F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000017AE3E0E960, 16 bytes long.
 Data: < &#192; -&#247;           > 18 C0 01 2D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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