Task 38688841

Name test_564-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8186_0
Workunit 31630150
Created 28 Oct 2026, 16:29:32 UTC
Sent 28 Oct 2026, 16:29:37 UTC
Report deadline 2 Nov 2026, 16:29:37 UTC
Received 28 Oct 2026, 19:17:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651581
Run time 2 hours 20 min 42 sec
CPU time 2 hours 6 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.29 MB
Peak swap size 5.21 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:57:48 (23268): wrapper (7.9.26016): starting
17:57:48 (23268): 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
17:57:50 (23268): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:57:50 (23268): 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\2\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\2\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
20:17:12 (23268): C:/Windows/system32/cmd.exe exited; CPU time 7582.000000
20:17:12 (23268): 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: 144751167 bytes.
Dumping objects ->
{3835364} normal block at 0x0000028387D62F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835353} normal block at 0x0000028387D627D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835342} normal block at 0x0000028387D62AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835331} normal block at 0x0000028387D62D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835320} normal block at 0x0000028387D3E310, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835289} normal block at 0x0000028389A9E650, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x0000028389AB82C0, 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) : {3835275} normal block at 0x0000028387D09AA0, 8 bytes long.
 Data: <  z&#137;    > 00 00 7A 89 83 02 00 00 
{3834617} normal block at 0x0000028389AB7D40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000028387D0A630, 8 bytes long.
 Data: <@/&#175;&#137;    > 40 2F AF 89 83 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000028387CCC570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028387CC6D70, 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 0x0000028387D3F760, 16 bytes long.
 Data: <&#200;&#235;&#211;&#135;            > C8 EB D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028387D3F710, 16 bytes long.
 Data: <&#160;&#235;&#211;&#135;            > A0 EB D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028387D091A0, 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 0x0000028387D3FBC0, 16 bytes long.
 Data: <x&#235;&#211;&#135;            > 78 EB D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028387D3FB70, 16 bytes long.
 Data: <P&#235;&#211;&#135;            > 50 EB D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028387D3EEA0, 16 bytes long.
 Data: <(&#235;&#211;&#135;            > 28 EB D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028387D3F4E0, 16 bytes long.
 Data: < &#235;&#211;&#135;            > 00 EB D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028387D3E380, 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 0x0000028387D3F210, 16 bytes long.
 Data: <&#232;&#241;&#203;&#135;            > E8 F1 CB 87 83 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028387D08FC0, 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 0x0000028387D3F3F0, 16 bytes long.
 Data: <&#192;&#241;&#203;&#135;            > C0 F1 CB 87 83 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028387D3F670, 16 bytes long.
 Data: < &#241;&#203;&#135;            > 98 F1 CB 87 83 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028387D3F2B0, 16 bytes long.
 Data: <p&#241;&#203;&#135;            > 70 F1 CB 87 83 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028387D3F620, 16 bytes long.
 Data: <H&#241;&#203;&#135;            > 48 F1 CB 87 83 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028387D3EE00, 16 bytes long.
 Data: < &#241;&#203;&#135;            > 20 F1 CB 87 83 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028387D3F8F0, 16 bytes long.
 Data: <&#248;&#240;&#203;&#135;            > F8 F0 CB 87 83 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028387D094A0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{276} normal block at 0x0000028387D3F530, 16 bytes long.
 Data: <&#208;&#240;&#203;&#135;            > D0 F0 CB 87 83 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028387CBF0D0, 320 bytes long.
 Data: <0&#245;&#211;&#135;    &#160;&#148;&#208;&#135;    > 30 F5 D3 87 83 02 00 00 A0 94 D0 87 83 02 00 00 
{274} normal block at 0x0000028387D3EFE0, 16 bytes long.
 Data: <&#224;&#234;&#211;&#135;            > E0 EA D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028387D3F440, 16 bytes long.
 Data: <&#184;&#234;&#211;&#135;            > B8 EA D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028387D090E0, 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 0x0000028387D3F6C0, 16 bytes long.
 Data: < &#234;&#211;&#135;            > 90 EA D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028387D08900, 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 0x0000028387D3EE50, 16 bytes long.
 Data: <&#216;&#233;&#211;&#135;            > D8 E9 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028387D3F9E0, 16 bytes long.
 Data: <&#176;&#233;&#211;&#135;            > B0 E9 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028387D3F1C0, 16 bytes long.
 Data: < &#233;&#211;&#135;            > 88 E9 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028387D3F490, 16 bytes long.
 Data: <`&#233;&#211;&#135;            > 60 E9 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028387D3FB20, 16 bytes long.
 Data: <8&#233;&#211;&#135;            > 38 E9 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028387D0A590, 16 bytes long.
 Data: < &#233;&#211;&#135;            > 10 E9 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028387D0A540, 16 bytes long.
 Data: <`&#228;&#211;&#135;            > 60 E4 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028387D3E460, 40 bytes long.
 Data: <@&#165;&#208;&#135;    P&#230;&#169;&#137;    > 40 A5 D0 87 83 02 00 00 50 E6 A9 89 83 02 00 00 
{260} normal block at 0x0000028387D0A450, 16 bytes long.
 Data: <&#240;&#232;&#211;&#135;            > F0 E8 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028387D0A860, 16 bytes long.
 Data: <&#200;&#232;&#211;&#135;            > C8 E8 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028387D08F60, 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 0x0000028387D0A180, 16 bytes long.
 Data: <&#160;&#232;&#211;&#135;            > A0 E8 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028387D3E8A0, 992 bytes long.
 Data: <  &#208;&#135;    `&#143;&#208;&#135;    > 80 A1 D0 87 83 02 00 00 60 8F D0 87 83 02 00 00 
{92} normal block at 0x0000028387D09740, 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 0x0000028387D09C80, 16 bytes long.
 Data: <&#240;&#227;&#211;&#135;            > F0 E3 D3 87 83 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000028387D3E3F0, 40 bytes long.
 Data: < &#156;&#208;&#135;    @&#151;&#208;&#135;    > 80 9C D0 87 83 02 00 00 40 97 D0 87 83 02 00 00 
{69} normal block at 0x0000028387D09910, 16 bytes long.
 Data: < &#234;&#172;n&#246;           > 80 EA AC 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028387D09FA0, 16 bytes long.
 Data: <@&#233;&#172;n&#246;           > 40 E9 AC 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028387D0A4A0, 16 bytes long.
 Data: <&#248;W&#169;n&#246;           > F8 57 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028387D09F50, 16 bytes long.
 Data: <&#216;W&#169;n&#246;           > D8 57 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028387D099B0, 16 bytes long.
 Data: <P &#169;n&#246;           > 50 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028387D0A0E0, 16 bytes long.
 Data: <0 &#169;n&#246;           > 30 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028387D09EB0, 16 bytes long.
 Data: <&#224; &#169;n&#246;           > E0 02 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028387D09B40, 16 bytes long.
 Data: <  &#169;n&#246;           > 10 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028387D09C30, 16 bytes long.
 Data: <p &#169;n&#246;           > 70 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028387D09E10, 16 bytes long.
 Data: < &#192;&#167;n&#246;           > 18 C0 A7 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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