Task 38687738

Name test_991-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3066_0
Workunit 31629119
Created 28 Oct 2026, 9:29:42 UTC
Sent 28 Oct 2026, 9:29:43 UTC
Report deadline 2 Nov 2026, 9:29:43 UTC
Received 28 Oct 2026, 9:45:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 54 sec
CPU time 14 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 769.23 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
10:30:25 (51236): wrapper (7.9.26016): starting
10:30:25 (51236): 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
10:30:26 (51236): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:30:26 (51236): 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
10:45:42 (51236): C:/Windows/system32/cmd.exe exited; CPU time 898.468750
10:45:42 (51236): 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: 24413748 bytes.
Dumping objects ->
{3835546} normal block at 0x000001CDE06B4820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000001CDE06B4740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000001CDE06B47B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000001CDE06B46D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000001CDE06B4660, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000001CDE22F6EC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001CDE230C420, 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) : {3835457} normal block at 0x000001CDE06AF620, 8 bytes long.
 Data: <  d&#224;&#205;   > 00 00 64 E0 CD 01 00 00 
{3834685} normal block at 0x000001CDE230D960, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001CDE06AE9F0, 8 bytes long.
 Data: <&#240;05&#226;&#205;   > F0 30 35 E2 CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001CDE06B1000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001CDE06A64F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001CDE06B54C0, 16 bytes long.
 Data: < gk&#224;&#205;           > 08 67 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CDE06B5B00, 16 bytes long.
 Data: <&#224;fk&#224;&#205;           > E0 66 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CDE06B0630, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001CDE06B5AB0, 16 bytes long.
 Data: <&#184;fk&#224;&#205;           > B8 66 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CDE06B60A0, 16 bytes long.
 Data: < fk&#224;&#205;           > 90 66 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CDE06B6050, 16 bytes long.
 Data: <hfk&#224;&#205;           > 68 66 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CDE06B56A0, 16 bytes long.
 Data: <@fk&#224;&#205;           > 40 66 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CDE06B49E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001CDE06B6000, 16 bytes long.
 Data: <&#232;&#229;j&#224;&#205;           > E8 E5 6A E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CDE06AF9D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001CDE06B5A60, 16 bytes long.
 Data: <&#192;&#229;j&#224;&#205;           > C0 E5 6A E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CDE06B5F60, 16 bytes long.
 Data: < &#229;j&#224;&#205;           > 98 E5 6A E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CDE06B62D0, 16 bytes long.
 Data: <p&#229;j&#224;&#205;           > 70 E5 6A E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CDE06B6280, 16 bytes long.
 Data: <H&#229;j&#224;&#205;           > 48 E5 6A E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CDE06B5D30, 16 bytes long.
 Data: < &#229;j&#224;&#205;           > 20 E5 6A E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CDE06B5D80, 16 bytes long.
 Data: <&#248;&#228;j&#224;&#205;           > F8 E4 6A E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CDE06AF790, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001CDE06B6230, 16 bytes long.
 Data: <&#208;&#228;j&#224;&#205;           > D0 E4 6A E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CDE06AE4D0, 320 bytes long.
 Data: <0bk&#224;&#205;    &#247;j&#224;&#205;   > 30 62 6B E0 CD 01 00 00 90 F7 6A E0 CD 01 00 00 
{276} normal block at 0x000001CDE06B5650, 16 bytes long.
 Data: < fk&#224;&#205;           > 20 66 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CDE06B5F10, 16 bytes long.
 Data: <&#248;ek&#224;&#205;           > F8 65 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CDE06AFB50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001CDE06B5600, 16 bytes long.
 Data: <&#208;ek&#224;&#205;           > D0 65 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CDE06B03F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001CDE06B59C0, 16 bytes long.
 Data: < ek&#224;&#205;           > 18 65 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CDE06B5E70, 16 bytes long.
 Data: <&#240;dk&#224;&#205;           > F0 64 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CDE06B55B0, 16 bytes long.
 Data: <&#200;dk&#224;&#205;           > C8 64 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CDE06B6190, 16 bytes long.
 Data: <&#160;dk&#224;&#205;           > A0 64 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CDE06B5C40, 16 bytes long.
 Data: <xdk&#224;&#205;           > 78 64 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CDE06B5BF0, 16 bytes long.
 Data: <Pdk&#224;&#205;           > 50 64 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CDE06B5470, 16 bytes long.
 Data: <&#160;Kk&#224;&#205;           > A0 4B 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CDE06B4BA0, 40 bytes long.
 Data: <pTk&#224;&#205;   &#192;n/&#226;&#205;   > 70 54 6B E0 CD 01 00 00 C0 6E 2F E2 CD 01 00 00 
{262} normal block at 0x000001CDE06B5FB0, 16 bytes long.
 Data: <0dk&#224;&#205;           > 30 64 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CDE06B5920, 16 bytes long.
 Data: < dk&#224;&#205;           > 08 64 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CDE06B05D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001CDE06B5560, 16 bytes long.
 Data: <&#224;ck&#224;&#205;           > E0 63 6B E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CDE06B63E0, 992 bytes long.
 Data: <`Uk&#224;&#205;   &#208; k&#224;&#205;   > 60 55 6B E0 CD 01 00 00 D0 05 6B E0 CD 01 00 00 
{94} normal block at 0x000001CDE06AFA90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001CDE06AF260, 16 bytes long.
 Data: < &#238;i&#224;&#205;           > 20 EE 69 E0 CD 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001CDE069EE20, 40 bytes long.
 Data: <`&#242;j&#224;&#205;    &#250;j&#224;&#205;   > 60 F2 6A E0 CD 01 00 00 90 FA 6A E0 CD 01 00 00 
{71} normal block at 0x000001CDE06AEB30, 16 bytes long.
 Data: < &#234;&#148;K&#247;           > 80 EA 94 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CDE06AE9A0, 16 bytes long.
 Data: <@&#233;&#148;K&#247;           > 40 E9 94 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CDE06AEB80, 16 bytes long.
 Data: <&#248;W&#145;K&#247;           > F8 57 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CDE06AED10, 16 bytes long.
 Data: <&#216;W&#145;K&#247;           > D8 57 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CDE06AF030, 16 bytes long.
 Data: <P &#145;K&#247;           > 50 04 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CDE06AE900, 16 bytes long.
 Data: <0 &#145;K&#247;           > 30 04 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CDE06AE720, 16 bytes long.
 Data: <&#224; &#145;K&#247;           > E0 02 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CDE06AF490, 16 bytes long.
 Data: <  &#145;K&#247;           > 10 04 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CDE06AEDB0, 16 bytes long.
 Data: <p &#145;K&#247;           > 70 04 91 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CDE06AE7C0, 16 bytes long.
 Data: < &#192; K&#247;           > 18 C0 8F 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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