Task 38682246

Name test_620-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND1373_1
Workunit 31620119
Created 27 Oct 2026, 7:07:24 UTC
Sent 27 Oct 2026, 7:07:28 UTC
Report deadline 1 Nov 2026, 7:07:28 UTC
Received 27 Oct 2026, 8:16:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 22 min 56 sec
CPU time 21 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 91,065.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.47 MB
Peak swap size 19.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:54:05 (37948): wrapper (7.9.26016): starting
08:54:05 (37948): 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
08:54:06 (37948): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:54:06 (37948): 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\9\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\9\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
09:16:16 (37948): C:/Windows/system32/cmd.exe exited; CPU time 1314.437500
09:16:16 (37948): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 23829353 bytes.
Dumping objects ->
{3835248} normal block at 0x000001247848CE40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000124766C45B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000124766C4540, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x00000124766C44D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x00000124766C49A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x00000124784D67F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835160} normal block at 0x00000124766BFAE0, 8 bytes long.
 Data: <  &#200;v$   > 00 00 C8 76 24 01 00 00 
{3833957} normal block at 0x00000124766BF2C0, 8 bytes long.
 Data: <P8Vx$   > 50 38 56 78 24 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000124766C0910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000124766B55C0, 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 0x00000124766C6020, 16 bytes long.
 Data: <&#184;Qlv$           > B8 51 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000124766C57B0, 16 bytes long.
 Data: < Qlv$           > 90 51 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000124766BE210, 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 0x00000124766C6070, 16 bytes long.
 Data: <hQlv$           > 68 51 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000124766C5A30, 16 bytes long.
 Data: <@Qlv$           > 40 51 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000124766C61B0, 16 bytes long.
 Data: < Qlv$           > 18 51 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000124766C5BC0, 16 bytes long.
 Data: <&#240;Plv$           > F0 50 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000124766C4A80, 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 0x00000124766C5580, 16 bytes long.
 Data: <8&#222;kv$           > 38 DE 6B 76 24 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000124766BE990, 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 0x00000124766C5F30, 16 bytes long.
 Data: < &#222;kv$           > 10 DE 6B 76 24 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000124766C5710, 16 bytes long.
 Data: <&#232;&#221;kv$           > E8 DD 6B 76 24 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000124766C6160, 16 bytes long.
 Data: <&#192;&#221;kv$           > C0 DD 6B 76 24 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000124766C5760, 16 bytes long.
 Data: < &#221;kv$           > 98 DD 6B 76 24 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000124766C5E40, 16 bytes long.
 Data: <p&#221;kv$           > 70 DD 6B 76 24 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000124766C5FD0, 16 bytes long.
 Data: <H&#221;kv$           > 48 DD 6B 76 24 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000124766BE8D0, 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 0x00000124766C5CB0, 16 bytes long.
 Data: < &#221;kv$           > 20 DD 6B 76 24 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000124766BDD20, 320 bytes long.
 Data: <&#176;\lv$   &#208;&#232;kv$   > B0 5C 6C 76 24 01 00 00 D0 E8 6B 76 24 01 00 00 
{274} normal block at 0x00000124766C5A80, 16 bytes long.
 Data: <&#208;Plv$           > D0 50 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000124766C5B70, 16 bytes long.
 Data: <&#168;Plv$           > A8 50 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000124766BEC30, 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 0x00000124766C59E0, 16 bytes long.
 Data: < Plv$           > 80 50 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000124766BE150, 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 0x00000124766C5D50, 16 bytes long.
 Data: <&#200;Olv$           > C8 4F 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000124766C5530, 16 bytes long.
 Data: <&#160;Olv$           > A0 4F 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000124766C5C60, 16 bytes long.
 Data: <xOlv$           > 78 4F 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000124766C6200, 16 bytes long.
 Data: <POlv$           > 50 4F 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000124766C56C0, 16 bytes long.
 Data: <(Olv$           > 28 4F 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000124766BFBD0, 16 bytes long.
 Data: < Olv$           > 00 4F 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000124766BFA90, 16 bytes long.
 Data: < Flv$           > 20 46 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000124766C4620, 40 bytes long.
 Data: < &#250;kv$   &#240;gMx$   > 90 FA 6B 76 24 01 00 00 F0 67 4D 78 24 01 00 00 
{260} normal block at 0x00000124766BF9A0, 16 bytes long.
 Data: <&#224;Nlv$           > E0 4E 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000124766BF8B0, 16 bytes long.
 Data: <&#184;Nlv$           > B8 4E 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000124766BE9F0, 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 0x00000124766BF7C0, 16 bytes long.
 Data: < Nlv$           > 90 4E 6C 76 24 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000124766C4E90, 992 bytes long.
 Data: <&#192;&#247;kv$   &#240;&#233;kv$   > C0 F7 6B 76 24 01 00 00 F0 E9 6B 76 24 01 00 00 
{92} normal block at 0x00000124766BE1B0, 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 0x00000124766BF180, 16 bytes long.
 Data: < &#216;jv$           > 10 D8 6A 76 24 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000124766AD810, 40 bytes long.
 Data: < &#241;kv$   &#176;&#225;kv$   > 80 F1 6B 76 24 01 00 00 B0 E1 6B 76 24 01 00 00 
{69} normal block at 0x00000124766BF860, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000124766BFC70, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000124766BF950, 16 bytes long.
 Data: <&#248;W&#138; &#246;           > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000124766BF6D0, 16 bytes long.
 Data: <&#216;W&#138; &#246;           > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000124766BFE00, 16 bytes long.
 Data: <P &#138; &#246;           > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000124766BF400, 16 bytes long.
 Data: <0 &#138; &#246;           > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000124766BFD10, 16 bytes long.
 Data: <&#224; &#138; &#246;           > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000124766BF680, 16 bytes long.
 Data: <  &#138; &#246;           > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000124766BF3B0, 16 bytes long.
 Data: <p &#138; &#246;           > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000124766BF9F0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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