Task 38671080

Name test_379-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND6691_0
Workunit 31613299
Created 25 Oct 2026, 19:28:36 UTC
Sent 25 Oct 2026, 19:28:41 UTC
Report deadline 30 Oct 2026, 19:28:41 UTC
Received 25 Oct 2026, 19:57:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 582876
Run time 26 min 18 sec
CPU time 24 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.61 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:31:53 (19496): wrapper (7.9.26016): starting
20:31:53 (19496): 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
20:31:55 (19496): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:31:55 (19496): 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 'D:\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 'D:\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
20:56:23 (19496): C:/Windows/system32/cmd.exe exited; CPU time 1444.359375
20:56:23 (19496): 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: 28343503 bytes.
Dumping objects ->
{3835278} normal block at 0x0000018D87E999D0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000018D87E74670, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x0000018D87E74600, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x0000018D87E747C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000018D87E74590, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x0000018D89BC6180, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000018D89BDEBE0, 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) : {3835189} normal block at 0x0000018D87E6D920, 8 bytes long.
 Data: <  '     > 00 00 27 88 8D 01 00 00 
{3834567} normal block at 0x0000018D89BDF210, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833962} normal block at 0x0000018D87E6D470, 8 bytes long.
 Data: < &#228;&#173;&#137;    > 00 E4 AD 89 8D 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018D87E71690, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018D87E660B0, 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 0x0000018D87E75510, 16 bytes long.
 Data: < d&#231;&#135;            > 88 64 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018D87E75830, 16 bytes long.
 Data: <`d&#231;&#135;            > 60 64 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018D87E6F400, 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 0x0000018D87E75BF0, 16 bytes long.
 Data: <8d&#231;&#135;            > 38 64 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018D87E755B0, 16 bytes long.
 Data: < d&#231;&#135;            > 10 64 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018D87E75330, 16 bytes long.
 Data: <&#232;c&#231;&#135;            > E8 63 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018D87E75290, 16 bytes long.
 Data: <&#192;c&#231;&#135;            > C0 63 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018D87E748A0, 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 0x0000018D87E75560, 16 bytes long.
 Data: < &#177;&#229;&#135;            > 18 B1 E5 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018D87E6FA00, 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 0x0000018D87E75920, 16 bytes long.
 Data: <&#240;&#176;&#229;&#135;            > F0 B0 E5 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018D87E751A0, 16 bytes long.
 Data: <&#200;&#176;&#229;&#135;            > C8 B0 E5 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018D87E75BA0, 16 bytes long.
 Data: <&#160;&#176;&#229;&#135;            > A0 B0 E5 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018D87E756A0, 16 bytes long.
 Data: <x&#176;&#229;&#135;            > 78 B0 E5 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018D87E75A60, 16 bytes long.
 Data: <P&#176;&#229;&#135;            > 50 B0 E5 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018D87E75A10, 16 bytes long.
 Data: <(&#176;&#229;&#135;            > 28 B0 E5 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018D87E6F340, 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 0x0000018D87E75AB0, 16 bytes long.
 Data: < &#176;&#229;&#135;            > 00 B0 E5 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018D87E5B000, 320 bytes long.
 Data: <&#176;Z&#231;&#135;    @&#243;&#230;&#135;    > B0 5A E7 87 8D 01 00 00 40 F3 E6 87 8D 01 00 00 
{274} normal block at 0x0000018D87E760A0, 16 bytes long.
 Data: <&#160;c&#231;&#135;            > A0 63 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018D87E75E70, 16 bytes long.
 Data: <xc&#231;&#135;            > 78 63 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018D87E6ECE0, 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 0x0000018D87E759C0, 16 bytes long.
 Data: <Pc&#231;&#135;            > 50 63 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018D87E6F760, 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 0x0000018D87E760F0, 16 bytes long.
 Data: < b&#231;&#135;            > 98 62 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018D87E752E0, 16 bytes long.
 Data: <pb&#231;&#135;            > 70 62 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018D87E75F60, 16 bytes long.
 Data: <Hb&#231;&#135;            > 48 62 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018D87E75970, 16 bytes long.
 Data: < b&#231;&#135;            > 20 62 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018D87E757E0, 16 bytes long.
 Data: <&#248;a&#231;&#135;            > F8 61 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018D87E754C0, 16 bytes long.
 Data: <&#208;a&#231;&#135;            > D0 61 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018D87E75B00, 16 bytes long.
 Data: <PG&#231;&#135;            > 50 47 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018D87E74750, 40 bytes long.
 Data: < [&#231;&#135;     a&#188;&#137;    > 00 5B E7 87 8D 01 00 00 80 61 BC 89 8D 01 00 00 
{260} normal block at 0x0000018D87E75420, 16 bytes long.
 Data: <&#176;a&#231;&#135;            > B0 61 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018D87E75380, 16 bytes long.
 Data: < a&#231;&#135;            > 88 61 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018D87E6F2E0, 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 0x0000018D87E75F10, 16 bytes long.
 Data: <`a&#231;&#135;            > 60 61 E7 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018D87E76160, 992 bytes long.
 Data: < _&#231;&#135;    &#224;&#242;&#230;&#135;    > 10 5F E7 87 8D 01 00 00 E0 F2 E6 87 8D 01 00 00 
{92} normal block at 0x0000018D87E6F700, 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 0x0000018D87E6D240, 16 bytes long.
 Data: <&#224;&#224;&#229;&#135;            > E0 E0 E5 87 8D 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000018D87E5E0E0, 40 bytes long.
 Data: <@&#210;&#230;&#135;     &#247;&#230;&#135;    > 40 D2 E6 87 8D 01 00 00 00 F7 E6 87 8D 01 00 00 
{69} normal block at 0x0000018D87E6D880, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018D87E6D6A0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018D87E6DF10, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018D87E6D7E0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018D87E6D060, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018D87E6D8D0, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018D87E6D4C0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018D87E6D150, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018D87E6D650, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018D87E6CFC0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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