Task 38666686

Name test_967-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND6457_2
Workunit 31608046
Created 25 Oct 2026, 4:22:36 UTC
Sent 25 Oct 2026, 4:38:03 UTC
Report deadline 30 Oct 2026, 4:38:03 UTC
Received 25 Oct 2026, 20:44:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 31 min 52 sec
CPU time 31 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.82 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
11:52:24 (564): wrapper (7.9.26016): starting
11:52:24 (564): 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
11:52:26 (564): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:52:26 (564): 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\7\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\7\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
12:22:36 (564): C:/Windows/system32/cmd.exe exited; CPU time 1903.578125
12:22:36 (564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 30525765 bytes.
Dumping objects ->
{3835233} normal block at 0x0000021B1F5D0E60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000021B1F5D0AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000021B1F5D1020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x0000021B1F5D12C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x0000021B1F5D1170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x0000021B1F6C6320, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x0000021B1F6DD180, 102 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) : {3835144} normal block at 0x0000021B1D9C8DD0, 8 bytes long.
 Data: <  ?     > 00 00 3F 1F 1B 02 00 00 
{3834540} normal block at 0x0000021B1F6DD9C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000021B1D9C8060, 8 bytes long.
 Data: < &#235;]     > 00 EB 5D 1F 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021B1D9D1F90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021B1D9BBA80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000021B1D9D32F0, 16 bytes long.
 Data: < S              > 18 53 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021B1D9D3D90, 16 bytes long.
 Data: <&#240;R              > F0 52 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021B1D9CFB30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000021B1D9D3700, 16 bytes long.
 Data: <&#200;R              > C8 52 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021B1D9D36B0, 16 bytes long.
 Data: <&#160;R              > A0 52 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021B1D9D3BB0, 16 bytes long.
 Data: <xR              > 78 52 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021B1D9D3570, 16 bytes long.
 Data: <PR              > 50 52 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021B1D9CE970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000021B1D9D3CF0, 16 bytes long.
 Data: <X&#207;&#155;             > 58 CF 9B 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021B1D9CF290, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000021B1D9D3B60, 16 bytes long.
 Data: <0&#207;&#155;             > 30 CF 9B 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021B1D9D3660, 16 bytes long.
 Data: < &#207;&#155;             > 08 CF 9B 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021B1D9D3520, 16 bytes long.
 Data: <&#224;&#206;&#155;             > E0 CE 9B 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021B1D9D3B10, 16 bytes long.
 Data: <&#184;&#206;&#155;             > B8 CE 9B 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021B1D9D3DE0, 16 bytes long.
 Data: < &#206;&#155;             > 90 CE 9B 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021B1D9D31B0, 16 bytes long.
 Data: <h&#206;&#155;             > 68 CE 9B 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021B1D9CF0B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000021B1D9D3840, 16 bytes long.
 Data: <@&#206;&#155;             > 40 CE 9B 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021B1D9BCE40, 320 bytes long.
 Data: <@8      &#176;&#240;&#156;     > 40 38 9D 1D 1B 02 00 00 B0 F0 9C 1D 1B 02 00 00 
{275} normal block at 0x0000021B1D9D3390, 16 bytes long.
 Data: <0R              > 30 52 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021B1D9D3F70, 16 bytes long.
 Data: < R              > 08 52 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021B1D9CF050, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000021B1D9D3CA0, 16 bytes long.
 Data: <&#224;Q              > E0 51 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021B1D9CF7D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000021B1D9D32A0, 16 bytes long.
 Data: <(Q              > 28 51 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021B1D9D3D40, 16 bytes long.
 Data: < Q              > 00 51 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021B1D9D3ED0, 16 bytes long.
 Data: <&#216;P              > D8 50 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021B1D9D3250, 16 bytes long.
 Data: <&#176;P              > B0 50 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021B1D9D3340, 16 bytes long.
 Data: < P              > 88 50 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021B1D9D3200, 16 bytes long.
 Data: <`P              > 60 50 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021B1D9D3160, 16 bytes long.
 Data: < &#232;&#156;             > 20 E8 9C 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021B1D9CE820, 40 bytes long.
 Data: <`1       cl     > 60 31 9D 1D 1B 02 00 00 20 63 6C 1F 1B 02 00 00 
{261} normal block at 0x0000021B1D9D30C0, 16 bytes long.
 Data: <@P              > 40 50 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021B1D9D3980, 16 bytes long.
 Data: < P              > 18 50 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021B1D9CF6B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000021B1D9D3930, 16 bytes long.
 Data: <&#240;O              > F0 4F 9D 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021B1D9D4FF0, 992 bytes long.
 Data: <09      &#176;&#246;&#156;     > 30 39 9D 1D 1B 02 00 00 B0 F6 9C 1D 1B 02 00 00 
{93} normal block at 0x0000021B1D9CEE70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000021B1D9C8470, 16 bytes long.
 Data: <&#176;&#231;&#156;             > B0 E7 9C 1D 1B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000021B1D9CE7B0, 40 bytes long.
 Data: <p&#132;&#156;     p&#238;&#156;     > 70 84 9C 1D 1B 02 00 00 70 EE 9C 1D 1B 02 00 00 
{70} normal block at 0x0000021B1D9C8D30, 16 bytes long.
 Data: < &#234;@&#233;&#247;           > 80 EA 40 E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021B1D9C8290, 16 bytes long.
 Data: <@&#233;@&#233;&#247;           > 40 E9 40 E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021B1D9C8AB0, 16 bytes long.
 Data: <&#248;W=&#233;&#247;           > F8 57 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021B1D9C8010, 16 bytes long.
 Data: <&#216;W=&#233;&#247;           > D8 57 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021B1D9C8C90, 16 bytes long.
 Data: <P =&#233;&#247;           > 50 04 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021B1D9C8B50, 16 bytes long.
 Data: <0 =&#233;&#247;           > 30 04 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021B1D9C7F70, 16 bytes long.
 Data: <&#224; =&#233;&#247;           > E0 02 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021B1D9C8240, 16 bytes long.
 Data: <  =&#233;&#247;           > 10 04 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021B1D9C85B0, 16 bytes long.
 Data: <p =&#233;&#247;           > 70 04 3D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021B1D9C8880, 16 bytes long.
 Data: < &#192;;&#233;&#247;           > 18 C0 3B E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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