Task 38664090

Name test_192-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND6856_0
Workunit 31607264
Created 24 Oct 2026, 23:11:24 UTC
Sent 24 Oct 2026, 23:11:33 UTC
Report deadline 29 Oct 2026, 23:11:33 UTC
Received 24 Oct 2026, 23:43:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613630
Run time 28 min 53 sec
CPU time 25 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 106,061.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.04 MB
Peak swap size 7.23 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:13:07 (6792): wrapper (7.9.26016): starting
16:13:07 (6792): 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
16:13:09 (6792): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:13:09 (6792): 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\1\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\1\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
16:41:56 (6792): C:/Windows/system32/cmd.exe exited; CPU time 1513.859375
16:41:56 (6792): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 23204481 bytes.
Dumping objects ->
{3835577} normal block at 0x0000023621EE4870, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835566} normal block at 0x00000236201D4F90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835555} normal block at 0x00000236201D4E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835544} normal block at 0x00000236201D4F20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x00000236201D4DD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835502} normal block at 0x0000023621E87E80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835491} normal block at 0x00000236201FA180, 155 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) : {3835488} normal block at 0x00000236201CD700, 8 bytes long.
 Data: <  z 6   > 00 00 7A 20 36 02 00 00 
{3834707} normal block at 0x00000236201FA260, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x00000236201CD7A0, 8 bytes long.
 Data: <@&#225;&#217;!6   > 40 E1 D9 21 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000236201D17F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000236201C66A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000236201D6020, 16 bytes long.
 Data: < j  6           > 98 6A 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000236201D65C0, 16 bytes long.
 Data: <pj  6           > 70 6A 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000236201CF280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000236201D57B0, 16 bytes long.
 Data: <Hj  6           > 48 6A 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000236201D58F0, 16 bytes long.
 Data: < j  6           > 20 6A 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000236201D6570, 16 bytes long.
 Data: <&#248;i  6           > F8 69 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000236201D6700, 16 bytes long.
 Data: <&#208;i  6           > D0 69 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000236201D5070, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000236201D5DF0, 16 bytes long.
 Data: < &#246;  6           > 18 F6 1B 20 36 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000236201CFB20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000236201D61B0, 16 bytes long.
 Data: <&#240;&#245;  6           > F0 F5 1B 20 36 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000236201D5F30, 16 bytes long.
 Data: <&#200;&#245;  6           > C8 F5 1B 20 36 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000236201D63E0, 16 bytes long.
 Data: <&#160;&#245;  6           > A0 F5 1B 20 36 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000236201D5E40, 16 bytes long.
 Data: <x&#245;  6           > 78 F5 1B 20 36 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000236201D6390, 16 bytes long.
 Data: <P&#245;  6           > 50 F5 1B 20 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000236201D6520, 16 bytes long.
 Data: <(&#245;  6           > 28 F5 1B 20 36 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000236201CEF20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000236201D6340, 16 bytes long.
 Data: < &#245;  6           > 00 F5 1B 20 36 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000236201BF500, 320 bytes long.
 Data: <@c  6    &#239;  6   > 40 63 1D 20 36 02 00 00 20 EF 1C 20 36 02 00 00 
{280} normal block at 0x00000236201D5B70, 16 bytes long.
 Data: <&#176;i  6           > B0 69 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000236201D66B0, 16 bytes long.
 Data: < i  6           > 88 69 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000236201CEF80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000236201D5B20, 16 bytes long.
 Data: <`i  6           > 60 69 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000236201CEEC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000236201D5800, 16 bytes long.
 Data: <&#168;h  6           > A8 68 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000236201D59E0, 16 bytes long.
 Data: < h  6           > 80 68 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000236201D6660, 16 bytes long.
 Data: <Xh  6           > 58 68 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000236201D5940, 16 bytes long.
 Data: <0h  6           > 30 68 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000236201D5A30, 16 bytes long.
 Data: < h  6           > 08 68 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000236201D5850, 16 bytes long.
 Data: <&#224;g  6           > E0 67 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000236201D62F0, 16 bytes long.
 Data: < L  6           > 10 4C 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000236201D4C10, 40 bytes long.
 Data: <&#240;b  6    ~&#232;!6   > F0 62 1D 20 36 02 00 00 80 7E E8 21 36 02 00 00 
{266} normal block at 0x00000236201D5C10, 16 bytes long.
 Data: <&#192;g  6           > C0 67 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000236201D62A0, 16 bytes long.
 Data: < g  6           > 98 67 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000236201CEDA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000236201D5AD0, 16 bytes long.
 Data: <pg  6           > 70 67 1D 20 36 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000236201D6770, 992 bytes long.
 Data: <&#208;Z  6   &#160;&#237;  6   > D0 5A 1D 20 36 02 00 00 A0 ED 1C 20 36 02 00 00 
{98} normal block at 0x00000236201CF340, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000236201CDE30, 16 bytes long.
 Data: <&#176;&#236;  6           > B0 EC 1C 20 36 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000236201CECB0, 40 bytes long.
 Data: <0&#222;  6   @&#243;  6   > 30 DE 1C 20 36 02 00 00 40 F3 1C 20 36 02 00 00 
{75} normal block at 0x00000236201CDC00, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 81 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000236201CDFC0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 81 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000236201CD3E0, 16 bytes long.
 Data: <&#248;W~ &#246;           > F8 57 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000236201CD610, 16 bytes long.
 Data: <&#216;W~ &#246;           > D8 57 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000236201CE240, 16 bytes long.
 Data: <P ~ &#246;           > 50 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000236201CE330, 16 bytes long.
 Data: <0 ~ &#246;           > 30 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000236201CDDE0, 16 bytes long.
 Data: <&#224; ~ &#246;           > E0 02 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000236201CD570, 16 bytes long.
 Data: <  ~ &#246;           > 10 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000236201CD5C0, 16 bytes long.
 Data: <p ~ &#246;           > 70 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000236201CE010, 16 bytes long.
 Data: < &#192;| &#246;           > 18 C0 7C 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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