Task 38667224

Name test_374-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND6800_0
Workunit 31609883
Created 25 Oct 2026, 6:56:57 UTC
Sent 25 Oct 2026, 6:57:05 UTC
Report deadline 30 Oct 2026, 6:57:05 UTC
Received 25 Oct 2026, 8:33:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652183
Run time 24 min
CPU time 20 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.73 MB
Peak swap size 11.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:10:10 (28520): wrapper (7.9.26016): starting
02:10:10 (28520): 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
02:10:11 (28520): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:10:11 (28520): 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\14\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\14\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
02:33:22 (28520): C:/Windows/system32/cmd.exe exited; CPU time 1212.765625
02:33:22 (28520): 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: 27955705 bytes.
Dumping objects ->
{3835255} normal block at 0x0000027D82C51FC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000027D82C51EE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000027D82C522D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000027D82C52180, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000027D82C51D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000027D849EA730, 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) : {3835167} normal block at 0x0000027D82C4C650, 8 bytes long.
 Data: <  %&#131;}   > 00 00 25 83 7D 02 00 00 
{3833957} normal block at 0x0000027D82C4C100, 8 bytes long.
 Data: <  &#169;&#132;}   > 20 0B A9 84 7D 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000027D82C4DE50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027D82C45140, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000027D82C53240, 16 bytes long.
 Data: <&#184;*&#197;&#130;}           > B8 2A C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027D82C53470, 16 bytes long.
 Data: < *&#197;&#130;}           > 90 2A C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027D82C4D1C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000027D82C53600, 16 bytes long.
 Data: <h*&#197;&#130;}           > 68 2A C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027D82C53880, 16 bytes long.
 Data: <@*&#197;&#130;}           > 40 2A C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027D82C53560, 16 bytes long.
 Data: < *&#197;&#130;}           > 18 2A C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027D82C52E80, 16 bytes long.
 Data: <&#240;)&#197;&#130;}           > F0 29 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027D82C51C40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000027D82C537E0, 16 bytes long.
 Data: <&#168;&#179;&#195;&#130;}           > A8 B3 C3 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027D82C4CCE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000027D82C53100, 16 bytes long.
 Data: < &#179;&#195;&#130;}           > 80 B3 C3 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027D82C53330, 16 bytes long.
 Data: <X&#179;&#195;&#130;}           > 58 B3 C3 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027D82C53790, 16 bytes long.
 Data: <0&#179;&#195;&#130;}           > 30 B3 C3 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027D82C536A0, 16 bytes long.
 Data: < &#179;&#195;&#130;}           > 08 B3 C3 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027D82C535B0, 16 bytes long.
 Data: <&#224;&#178;&#195;&#130;}           > E0 B2 C3 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027D82C52D40, 16 bytes long.
 Data: <&#184;&#178;&#195;&#130;}           > B8 B2 C3 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027D82C4CC20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000027D82C53060, 16 bytes long.
 Data: < &#178;&#195;&#130;}           > 90 B2 C3 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027D82C3B290, 320 bytes long.
 Data: <`0&#197;&#130;}    &#204;&#196;&#130;}   > 60 30 C5 82 7D 02 00 00 20 CC C4 82 7D 02 00 00 
{274} normal block at 0x0000027D82C53830, 16 bytes long.
 Data: <&#208;)&#197;&#130;}           > D0 29 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027D82C53A60, 16 bytes long.
 Data: <&#168;)&#197;&#130;}           > A8 29 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027D82C4D7C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000027D82C53740, 16 bytes long.
 Data: < )&#197;&#130;}           > 80 29 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027D82C4D160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000027D82C530B0, 16 bytes long.
 Data: <&#200;(&#197;&#130;}           > C8 28 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027D82C53150, 16 bytes long.
 Data: <&#160;(&#197;&#130;}           > A0 28 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027D82C53420, 16 bytes long.
 Data: <x(&#197;&#130;}           > 78 28 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027D82C536F0, 16 bytes long.
 Data: <P(&#197;&#130;}           > 50 28 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027D82C533D0, 16 bytes long.
 Data: <((&#197;&#130;}           > 28 28 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027D82C4C3D0, 16 bytes long.
 Data: < (&#197;&#130;}           > 00 28 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027D82C4C2E0, 16 bytes long.
 Data: <&#240;!&#197;&#130;}           > F0 21 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027D82C521F0, 40 bytes long.
 Data: <&#224;&#194;&#196;&#130;}   0&#167;&#158;&#132;}   > E0 C2 C4 82 7D 02 00 00 30 A7 9E 84 7D 02 00 00 
{260} normal block at 0x0000027D82C4C0B0, 16 bytes long.
 Data: <&#224;'&#197;&#130;}           > E0 27 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027D82C4C060, 16 bytes long.
 Data: <&#184;'&#197;&#130;}           > B8 27 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027D82C4D0A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000027D82C4CA10, 16 bytes long.
 Data: < '&#197;&#130;}           > 90 27 C5 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027D82C52790, 992 bytes long.
 Data: < &#202;&#196;&#130;}   &#160;&#208;&#196;&#130;}   > 10 CA C4 82 7D 02 00 00 A0 D0 C4 82 7D 02 00 00 
{92} normal block at 0x0000027D82C4D700, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000027D82C4C600, 16 bytes long.
 Data: <P&#219;&#195;&#130;}           > 50 DB C3 82 7D 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000027D82C3DB50, 40 bytes long.
 Data: < &#198;&#196;&#130;}    &#215;&#196;&#130;}   > 00 C6 C4 82 7D 02 00 00 00 D7 C4 82 7D 02 00 00 
{69} normal block at 0x0000027D82C4BE30, 16 bytes long.
 Data: < &#234; k&#247;           > 80 EA 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027D82C4C8D0, 16 bytes long.
 Data: <@&#233; k&#247;           > 40 E9 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027D82C4CA60, 16 bytes long.
 Data: <&#248;W&#133;k&#247;           > F8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027D82C4BCA0, 16 bytes long.
 Data: <&#216;W&#133;k&#247;           > D8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027D82C4C380, 16 bytes long.
 Data: <P &#133;k&#247;           > 50 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027D82C4C970, 16 bytes long.
 Data: <0 &#133;k&#247;           > 30 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027D82C4BF70, 16 bytes long.
 Data: <&#224; &#133;k&#247;           > E0 02 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027D82C4C920, 16 bytes long.
 Data: <  &#133;k&#247;           > 10 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027D82C4BDE0, 16 bytes long.
 Data: <p &#133;k&#247;           > 70 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027D82C4C5B0, 16 bytes long.
 Data: < &#192;&#131;k&#247;           > 18 C0 83 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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