Task 38687833

Name test_548-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2909_0
Workunit 31629210
Created 28 Oct 2026, 10:04:04 UTC
Sent 28 Oct 2026, 10:04:04 UTC
Report deadline 2 Nov 2026, 10:04:04 UTC
Received 28 Oct 2026, 10:35:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 30 min 18 sec
CPU time 27 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.59 MB
Peak swap size 6.89 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:05:59 (4156): wrapper (7.9.26016): starting
10:05:59 (4156): 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
10:06:00 (4156): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:06:00 (4156): 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\0\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\0\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
10:35:09 (4156): C:/Windows/system32/cmd.exe exited; CPU time 1664.890625
10:35:09 (4156): 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: 26631141 bytes.
Dumping objects ->
{3835306} normal block at 0x000002036325F1E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x00000203615A6A40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x00000203615A69D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x00000203615A6960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000203615A68F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x00000203632A9A50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000203632C00F0, 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) : {3835217} normal block at 0x000002036159FBE0, 8 bytes long.
 Data: <  &#163;a    > 00 00 A3 61 03 02 00 00 
{3834571} normal block at 0x00000203632C0BF0, 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 0x000002036159FEB0, 8 bytes long.
 Data: <0Q3c    > 30 51 33 63 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000203615A0F10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000203615963D0, 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 0x00000203615A7750, 16 bytes long.
 Data: <&#216; Za            > D8 80 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000203615A7520, 16 bytes long.
 Data: <&#176; Za            > B0 80 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002036159F4D0, 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 0x00000203615A7610, 16 bytes long.
 Data: <  Za            > 88 80 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000203615A6DF0, 16 bytes long.
 Data: <` Za            > 60 80 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000203615A7D40, 16 bytes long.
 Data: <8 Za            > 38 80 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000203615A7930, 16 bytes long.
 Data: <  Za            > 10 80 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000203615A6650, 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 0x00000203615A74D0, 16 bytes long.
 Data: <  Ya            > 88 8F 59 61 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002036159F2F0, 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 0x00000203615A75C0, 16 bytes long.
 Data: <` Ya            > 60 8F 59 61 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000203615A7890, 16 bytes long.
 Data: <8 Ya            > 38 8F 59 61 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000203615A7840, 16 bytes long.
 Data: <  Ya            > 10 8F 59 61 03 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000203615A7C00, 16 bytes long.
 Data: <&#232;&#142;Ya            > E8 8E 59 61 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000203615A6EE0, 16 bytes long.
 Data: <&#192;&#142;Ya            > C0 8E 59 61 03 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000203615A7070, 16 bytes long.
 Data: < &#142;Ya            > 98 8E 59 61 03 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002036159EFF0, 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 0x00000203615A76B0, 16 bytes long.
 Data: <p&#142;Ya            > 70 8E 59 61 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020361598E70, 320 bytes long.
 Data: <&#176;vZa    &#240;&#239;Ya    > B0 76 5A 61 03 02 00 00 F0 EF 59 61 03 02 00 00 
{274} normal block at 0x00000203615A7C50, 16 bytes long.
 Data: <&#240; Za            > F0 7F 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000203615A7110, 16 bytes long.
 Data: <&#200; Za            > C8 7F 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002036159E8D0, 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 0x00000203615A7570, 16 bytes long.
 Data: <&#160; Za            > A0 7F 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002036159EE70, 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 0x00000203615A71B0, 16 bytes long.
 Data: <&#232;~Za            > E8 7E 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000203615A7480, 16 bytes long.
 Data: <&#192;~Za            > C0 7E 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000203615A7020, 16 bytes long.
 Data: < ~Za            > 98 7E 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000203615A7430, 16 bytes long.
 Data: <p~Za            > 70 7E 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000203615A6F80, 16 bytes long.
 Data: <H~Za            > 48 7E 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000203615A7CF0, 16 bytes long.
 Data: < ~Za            > 20 7E 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000203615A6FD0, 16 bytes long.
 Data: < lZa            > 00 6C 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000203615A6C00, 40 bytes long.
 Data: <&#208;oZa    P&#154;*c    > D0 6F 5A 61 03 02 00 00 50 9A 2A 63 03 02 00 00 
{260} normal block at 0x00000203615A6F30, 16 bytes long.
 Data: < ~Za            > 00 7E 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000203615A77F0, 16 bytes long.
 Data: <&#216;}Za            > D8 7D 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002036159ED50, 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 0x00000203615A7250, 16 bytes long.
 Data: <&#176;}Za            > B0 7D 5A 61 03 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000203615A7DB0, 992 bytes long.
 Data: <PrZa    P&#237;Ya    > 50 72 5A 61 03 02 00 00 50 ED 59 61 03 02 00 00 
{92} normal block at 0x000002036159F350, 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 0x00000203615A0040, 16 bytes long.
 Data: <0&#211;Xa            > 30 D3 58 61 03 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002036158D330, 40 bytes long.
 Data: <@ Za    P&#243;Ya    > 40 00 5A 61 03 02 00 00 50 F3 59 61 03 02 00 00 
{69} normal block at 0x000002036159FD20, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002036159FE10, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002036159F8C0, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000203615A0590, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002036159F780, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002036159FC30, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000203615A0180, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002036159F9B0, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002036159FFA0, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000203615A04F0, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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