Task 38653305

Name test_137-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND1398_1
Workunit 31596669
Created 24 Oct 2026, 5:22:47 UTC
Sent 24 Oct 2026, 5:54:29 UTC
Report deadline 29 Oct 2026, 5:54:29 UTC
Received 24 Oct 2026, 7:33:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 30 min 36 sec
CPU time 30 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.69 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:58:37 (10688): wrapper (7.9.26016): starting
09:58:37 (10688): 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
09:58:39 (10688): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:58:39 (10688): 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\20\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\20\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
10:32:23 (10688): C:/Windows/system32/cmd.exe exited; CPU time 1834.921875
10:32:23 (10688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 33771427 bytes.
Dumping objects ->
{3835255} normal block at 0x0000028772FA4410, 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 0x0000028772FA3840, 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 0x0000028772FA3D80, 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 0x0000028772FA3F40, 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 0x0000028772FA3ED0, 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 0x0000028774BDC230, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x0000028774AD0200, 180 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) : {3835166} normal block at 0x0000028772F77260, 8 bytes long.
 Data: <  &#239;r&#135;   > 00 00 EF 72 87 02 00 00 
{3834558} normal block at 0x0000028774AD0D40, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000028772F76D60, 8 bytes long.
 Data: <&#240;&#197;&#189;t&#135;   > F0 C5 BD 74 87 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000028772F7EDC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028772F69210, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000028772F80440, 16 bytes long.
 Data: <&#216; &#248;r&#135;           > D8 13 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028772F80300, 16 bytes long.
 Data: <&#176; &#248;r&#135;           > B0 13 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028772F7B170, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000028772F80E90, 16 bytes long.
 Data: <  &#248;r&#135;           > 88 13 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028772F80A30, 16 bytes long.
 Data: <` &#248;r&#135;           > 60 13 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028772F802B0, 16 bytes long.
 Data: <8 &#248;r&#135;           > 38 13 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028772F80210, 16 bytes long.
 Data: <  &#248;r&#135;           > 10 13 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028772F793E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000028772F80C60, 16 bytes long.
 Data: <&#216;&#253;&#247;r&#135;           > D8 FD F7 72 87 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028772F7B3B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000028772F803A0, 16 bytes long.
 Data: <&#176;&#253;&#247;r&#135;           > B0 FD F7 72 87 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028772F80C10, 16 bytes long.
 Data: < &#253;&#247;r&#135;           > 88 FD F7 72 87 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028772F80170, 16 bytes long.
 Data: <`&#253;&#247;r&#135;           > 60 FD F7 72 87 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028772F808F0, 16 bytes long.
 Data: <8&#253;&#247;r&#135;           > 38 FD F7 72 87 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028772F800D0, 16 bytes long.
 Data: < &#253;&#247;r&#135;           > 10 FD F7 72 87 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028772F80800, 16 bytes long.
 Data: <&#232;&#252;&#247;r&#135;           > E8 FC F7 72 87 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028772F7ADB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000028772F80BC0, 16 bytes long.
 Data: <&#192;&#252;&#247;r&#135;           > C0 FC F7 72 87 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028772F7FCC0, 320 bytes long.
 Data: <&#192; &#248;r&#135;   &#176;&#173;&#247;r&#135;   > C0 0B F8 72 87 02 00 00 B0 AD F7 72 87 02 00 00 
{273} normal block at 0x0000028772F80B70, 16 bytes long.
 Data: <&#240; &#248;r&#135;           > F0 12 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028772F80D50, 16 bytes long.
 Data: <&#200; &#248;r&#135;           > C8 12 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028772F7B6B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000028772F80DF0, 16 bytes long.
 Data: <&#160; &#248;r&#135;           > A0 12 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028772F7AAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000028772F80580, 16 bytes long.
 Data: <&#232; &#248;r&#135;           > E8 11 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028772F7FF90, 16 bytes long.
 Data: <&#192; &#248;r&#135;           > C0 11 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028772F80080, 16 bytes long.
 Data: <  &#248;r&#135;           > 98 11 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028772F80DA0, 16 bytes long.
 Data: <p &#248;r&#135;           > 70 11 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028772F80B20, 16 bytes long.
 Data: <H &#248;r&#135;           > 48 11 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028772F80A80, 16 bytes long.
 Data: <  &#248;r&#135;           > 20 11 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028772F7FFE0, 16 bytes long.
 Data: <p&#147;&#247;r&#135;           > 70 93 F7 72 87 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028772F79370, 40 bytes long.
 Data: <&#224;&#255;&#247;r&#135;   0&#194;&#189;t&#135;   > E0 FF F7 72 87 02 00 00 30 C2 BD 74 87 02 00 00 
{259} normal block at 0x0000028772F80620, 16 bytes long.
 Data: <  &#248;r&#135;           > 00 11 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028772F80760, 16 bytes long.
 Data: <&#216; &#248;r&#135;           > D8 10 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028772F7B350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000028772F809E0, 16 bytes long.
 Data: <&#176; &#248;r&#135;           > B0 10 F8 72 87 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028772F810B0, 992 bytes long.
 Data: <&#224;	&#248;r&#135;   P&#179;&#247;r&#135;   > E0 09 F8 72 87 02 00 00 50 B3 F7 72 87 02 00 00 
{91} normal block at 0x0000028772F7AA50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000028772F772B0, 16 bytes long.
 Data: <`&#144;&#247;r&#135;           > 60 90 F7 72 87 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000028772F79060, 40 bytes long.
 Data: <&#176;r&#247;r&#135;   P&#170;&#247;r&#135;   > B0 72 F7 72 87 02 00 00 50 AA F7 72 87 02 00 00 
{68} normal block at 0x0000028772F77440, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028772F77170, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028772F76B80, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028772F77120, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028772F76EF0, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028772F770D0, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028772F76860, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028772F765E0, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028772F76810, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028772F77030, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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