Task 38685263

Name test_242-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0592_0
Workunit 31626738
Created 27 Oct 2026, 20:13:19 UTC
Sent 27 Oct 2026, 20:13:23 UTC
Report deadline 1 Nov 2026, 20:13:23 UTC
Received 27 Oct 2026, 20:51:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629206
Run time 35 min 7 sec
CPU time 35 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.74 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:14:26 (1576): wrapper (7.9.26016): starting
20:14:26 (1576): 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
20:14:27 (1576): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:14:27 (1576): 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
20:50:33 (1576): C:/Windows/system32/cmd.exe exited; CPU time 2107.046875
20:50:33 (1576): 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: 45507575 bytes.
Dumping objects ->
{3835612} normal block at 0x00000204D66098C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835601} normal block at 0x00000204D66092A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x00000204D6609310, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835579} normal block at 0x00000204D4944C90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835568} normal block at 0x00000204D4944A60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835537} normal block at 0x00000204D6617000, 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) : {3835524} normal block at 0x00000204D493E860, 8 bytes long.
 Data: <  &#211;&#212;    > 00 00 D3 D4 04 02 00 00 
{3833967} normal block at 0x00000204D493EC20, 8 bytes long.
 Data: <&#224;Zj&#214;    > E0 5A 6A D6 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000204D4941370, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000204D4935EF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000204D4945950, 16 bytes long.
 Data: <Hf&#148;&#212;            > 48 66 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000204D4945D60, 16 bytes long.
 Data: < f&#148;&#212;            > 20 66 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000204D4940180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000204D4945D10, 16 bytes long.
 Data: <&#248;e&#148;&#212;            > F8 65 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000204D4945770, 16 bytes long.
 Data: <&#208;e&#148;&#212;            > D0 65 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000204D4945CC0, 16 bytes long.
 Data: <&#168;e&#148;&#212;            > A8 65 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000204D4945C20, 16 bytes long.
 Data: < e&#148;&#212;            > 80 65 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000204D49447C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000204D4945F40, 16 bytes long.
 Data: < &#181;&#146;&#212;            > 98 B5 92 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000204D4940660, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000204D4945C70, 16 bytes long.
 Data: <p&#181;&#146;&#212;            > 70 B5 92 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000204D4945BD0, 16 bytes long.
 Data: <H&#181;&#146;&#212;            > 48 B5 92 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000204D49459A0, 16 bytes long.
 Data: < &#181;&#146;&#212;            > 20 B5 92 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000204D4946030, 16 bytes long.
 Data: <&#248;&#180;&#146;&#212;            > F8 B4 92 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000204D4945B80, 16 bytes long.
 Data: <&#208;&#180;&#146;&#212;            > D0 B4 92 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000204D4945450, 16 bytes long.
 Data: <&#168;&#180;&#146;&#212;            > A8 B4 92 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000204D4940300, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000204D49462B0, 16 bytes long.
 Data: < &#180;&#146;&#212;            > 80 B4 92 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000204D492B480, 320 bytes long.
 Data: <&#176;b&#148;&#212;      &#148;&#212;    > B0 62 94 D4 04 02 00 00 00 03 94 D4 04 02 00 00 
{279} normal block at 0x00000204D4945900, 16 bytes long.
 Data: <`e&#148;&#212;            > 60 65 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000204D4945680, 16 bytes long.
 Data: <8e&#148;&#212;            > 38 65 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000204D493FE80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000204D49458B0, 16 bytes long.
 Data: < e&#148;&#212;            > 10 65 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000204D493FF40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000204D4945720, 16 bytes long.
 Data: <Xd&#148;&#212;            > 58 64 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000204D4945E50, 16 bytes long.
 Data: <0d&#148;&#212;            > 30 64 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000204D4945810, 16 bytes long.
 Data: < d&#148;&#212;            > 08 64 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000204D4945F90, 16 bytes long.
 Data: <&#224;c&#148;&#212;            > E0 63 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000204D4945AE0, 16 bytes long.
 Data: <&#184;c&#148;&#212;            > B8 63 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000204D4945EA0, 16 bytes long.
 Data: < c&#148;&#212;            > 90 63 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000204D49454A0, 16 bytes long.
 Data: <pM&#148;&#212;            > 70 4D 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000204D4944D70, 40 bytes long.
 Data: <&#160;T&#148;&#212;     pa&#214;    > A0 54 94 D4 04 02 00 00 00 70 61 D6 04 02 00 00 
{265} normal block at 0x00000204D4945360, 16 bytes long.
 Data: <pc&#148;&#212;            > 70 63 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000204D4946260, 16 bytes long.
 Data: <Hc&#148;&#212;            > 48 63 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000204D493FFA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000204D49455E0, 16 bytes long.
 Data: < c&#148;&#212;            > 20 63 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000204D4946320, 992 bytes long.
 Data: <&#224;U&#148;&#212;    &#160;&#255;&#147;&#212;    > E0 55 94 D4 04 02 00 00 A0 FF 93 D4 04 02 00 00 
{97} normal block at 0x00000204D493FD60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000204D493EA90, 16 bytes long.
 Data: <PN&#148;&#212;            > 50 4E 94 D4 04 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000204D4944E50, 40 bytes long.
 Data: < &#234;&#147;&#212;    `&#253;&#147;&#212;    > 90 EA 93 D4 04 02 00 00 60 FD 93 D4 04 02 00 00 
{74} normal block at 0x00000204D493F670, 16 bytes long.
 Data: < &#234; &#158;&#247;           > 80 EA 17 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000204D493E9A0, 16 bytes long.
 Data: <@&#233; &#158;&#247;           > 40 E9 17 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000204D493ECC0, 16 bytes long.
 Data: <&#248;W &#158;&#247;           > F8 57 14 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000204D493F300, 16 bytes long.
 Data: <&#216;W &#158;&#247;           > D8 57 14 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000204D493EFE0, 16 bytes long.
 Data: <P  &#158;&#247;           > 50 04 14 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000204D493EA40, 16 bytes long.
 Data: <0  &#158;&#247;           > 30 04 14 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000204D493F2B0, 16 bytes long.
 Data: <&#224;  &#158;&#247;           > E0 02 14 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000204D493E9F0, 16 bytes long.
 Data: <   &#158;&#247;           > 10 04 14 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000204D493E950, 16 bytes long.
 Data: <p  &#158;&#247;           > 70 04 14 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000204D493EEF0, 16 bytes long.
 Data: < &#192; &#158;&#247;           > 18 C0 12 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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