Task 38661788

Name test_255-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND7006_0
Workunit 31605174
Created 24 Oct 2026, 16:19:57 UTC
Sent 24 Oct 2026, 17:49:01 UTC
Report deadline 29 Oct 2026, 17:49:01 UTC
Received 24 Oct 2026, 21:42:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 429162
Run time 38 min 49 sec
CPU time 36 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,278.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.14 MB
Peak swap size 3.84 GB
Peak disk usage 3.58 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:50:39 (16412): wrapper (7.9.26016): starting
19:50:39 (16412): 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
19:50:41 (16412): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:50:41 (16412): 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\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 'D:\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
20:28:06 (16412): C:/Windows/system32/cmd.exe exited; CPU time 2165.015625
20:28:06 (16412): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 36776774 bytes.
Dumping objects ->
{3835280} normal block at 0x0000021AA93A1560, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000021AA93A16B0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x0000021AA93A0F40, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x0000021AA93A0A00, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000021AA93A1250, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x0000021AA944E010, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x0000021AA944EB60, 85 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) : {3835191} normal block at 0x0000021AA7988590, 8 bytes long.
 Data: <  &#150;&#167;    > 00 00 96 A7 1A 02 00 00 
{3834566} normal block at 0x0000021AA944E5C0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000021AA7987E10, 8 bytes long.
 Data: < &#182;&#151;&#167;    > 10 B6 97 A7 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021AA79929F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021AA797D4D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000021AA79947A0, 16 bytes long.
 Data: <(P &#167;            > 28 50 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021AA79946B0, 16 bytes long.
 Data: < P &#167;            > 00 50 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021AA798CAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000021AA7994610, 16 bytes long.
 Data: <&#216;O &#167;            > D8 4F 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021AA7994110, 16 bytes long.
 Data: <&#176;O &#167;            > B0 4F 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021AA7993E90, 16 bytes long.
 Data: < O &#167;            > 88 4F 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021AA7993990, 16 bytes long.
 Data: <`O &#167;            > 60 4F 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021AA798D890, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000021AA7994160, 16 bytes long.
 Data: < &#191;&#151;&#167;            > 88 BF 97 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021AA798D100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000021AA7993C60, 16 bytes long.
 Data: <`&#191;&#151;&#167;            > 60 BF 97 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021AA7993AD0, 16 bytes long.
 Data: <8&#191;&#151;&#167;            > 38 BF 97 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021AA79943E0, 16 bytes long.
 Data: < &#191;&#151;&#167;            > 10 BF 97 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021AA7993940, 16 bytes long.
 Data: <&#232;&#190;&#151;&#167;            > E8 BE 97 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021AA7993CB0, 16 bytes long.
 Data: <&#192;&#190;&#151;&#167;            > C0 BE 97 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021AA7993BC0, 16 bytes long.
 Data: < &#190;&#151;&#167;            > 98 BE 97 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021AA798CEC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000021AA7993E40, 16 bytes long.
 Data: <p&#190;&#151;&#167;            > 70 BE 97 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021AA797BE70, 320 bytes long.
 Data: <@> &#167;    &#192;&#206; &#167;    > 40 3E 99 A7 1A 02 00 00 C0 CE 98 A7 1A 02 00 00 
{275} normal block at 0x0000021AA7993FD0, 16 bytes long.
 Data: <@O &#167;            > 40 4F 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021AA7994520, 16 bytes long.
 Data: < O &#167;            > 18 4F 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021AA798D1C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000021AA7993DA0, 16 bytes long.
 Data: <&#240;N &#167;            > F0 4E 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021AA798CDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000021AA7993A80, 16 bytes long.
 Data: <8N &#167;            > 38 4E 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021AA7993DF0, 16 bytes long.
 Data: < N &#167;            > 10 4E 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021AA7994890, 16 bytes long.
 Data: <&#232;M &#167;            > E8 4D 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021AA79945C0, 16 bytes long.
 Data: <&#192;M &#167;            > C0 4D 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021AA7994700, 16 bytes long.
 Data: < M &#167;            > 98 4D 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021AA79940C0, 16 bytes long.
 Data: <pM &#167;            > 70 4D 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021AA7994570, 16 bytes long.
 Data: <&#160;&#219; &#167;            > A0 DB 98 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021AA798DBA0, 40 bytes long.
 Data: <pE &#167;     &#224;D&#169;    > 70 45 99 A7 1A 02 00 00 10 E0 44 A9 1A 02 00 00 
{261} normal block at 0x0000021AA7993B70, 16 bytes long.
 Data: <PM &#167;            > 50 4D 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021AA7993F30, 16 bytes long.
 Data: <(M &#167;            > 28 4D 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021AA798CE60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000021AA7993D00, 16 bytes long.
 Data: < M &#167;            > 00 4D 99 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021AA7994D00, 992 bytes long.
 Data: < = &#167;    `&#206; &#167;    > 00 3D 99 A7 1A 02 00 00 60 CE 98 A7 1A 02 00 00 
{93} normal block at 0x0000021AA798CFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000021AA7987730, 16 bytes long.
 Data: <&#192;&#218; &#167;            > C0 DA 98 A7 1A 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000021AA798DAC0, 40 bytes long.
 Data: <0w &#167;    &#224;&#207; &#167;    > 30 77 98 A7 1A 02 00 00 E0 CF 98 A7 1A 02 00 00 
{70} normal block at 0x0000021AA7987C80, 16 bytes long.
 Data: < &#234;?&#231;&#247;           > 80 EA 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021AA7987690, 16 bytes long.
 Data: <@&#233;?&#231;&#247;           > 40 E9 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021AA7988180, 16 bytes long.
 Data: <&#248;W<&#231;&#247;           > F8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021AA7987AA0, 16 bytes long.
 Data: <&#216;W<&#231;&#247;           > D8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021AA7987F50, 16 bytes long.
 Data: <P <&#231;&#247;           > 50 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021AA79881D0, 16 bytes long.
 Data: <0 <&#231;&#247;           > 30 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021AA7987960, 16 bytes long.
 Data: <&#224; <&#231;&#247;           > E0 02 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021AA7987D70, 16 bytes long.
 Data: <  <&#231;&#247;           > 10 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021AA7987C30, 16 bytes long.
 Data: <p <&#231;&#247;           > 70 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021AA7987D20, 16 bytes long.
 Data: < &#192;:&#231;&#247;           > 18 C0 3A E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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