Task 38677764

Name test_859-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2317_0
Workunit 31619620
Created 26 Oct 2026, 15:19:10 UTC
Sent 26 Oct 2026, 15:19:13 UTC
Report deadline 31 Oct 2026, 15:19:13 UTC
Received 26 Oct 2026, 17:10:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654846
Run time 49 min 22 sec
CPU time 42 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.08 MB
Peak swap size 3.07 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:20:37 (7092): wrapper (7.9.26016): starting
18:20:37 (7092): 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
18:20:39 (7092): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:20:39 (7092): 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
19:08:33 (7092): C:/Windows/system32/cmd.exe exited; CPU time 2541.937500
19:08:33 (7092): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32741623 bytes.
Dumping objects ->
{3835253} normal block at 0x00000281F5B06AB0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x00000281F5B06110, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000281F5B06B20, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x00000281F3DDB4B0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000281F3DDB280, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x00000281F5A1BE00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x00000281F59B9350, 160 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) : {3835164} normal block at 0x00000281F3DD70D0, 8 bytes long.
 Data: <  x&#245;    > 00 00 78 F5 81 02 00 00 
{3834552} normal block at 0x00000281F59B9A50, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x00000281F3DD7030, 8 bytes long.
 Data: <@ &#151;&#245;    > 40 19 97 F5 81 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000281F3DE03D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000281F3DC5D20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x00000281F3DE1D70, 16 bytes long.
 Data: < :&#222;&#243;            > 18 3A DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000281F3DE1D20, 16 bytes long.
 Data: <&#240;9&#222;&#243;            > F0 39 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000281F3DDD630, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x00000281F3DE1C80, 16 bytes long.
 Data: <&#200;9&#222;&#243;            > C8 39 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000281F3DE1B40, 16 bytes long.
 Data: <&#160;9&#222;&#243;            > A0 39 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000281F3DE1C30, 16 bytes long.
 Data: <x9&#222;&#243;            > 78 39 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000281F3DE1730, 16 bytes long.
 Data: <P9&#222;&#243;            > 50 39 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000281F3DDB750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x00000281F3DE18C0, 16 bytes long.
 Data: <&#184;\&#220;&#243;            > B8 5C DC F3 81 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000281F3DDD150, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000281F3DE19B0, 16 bytes long.
 Data: < \&#220;&#243;            > 90 5C DC F3 81 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000281F3DE20E0, 16 bytes long.
 Data: <h\&#220;&#243;            > 68 5C DC F3 81 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000281F3DE1500, 16 bytes long.
 Data: <@\&#220;&#243;            > 40 5C DC F3 81 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000281F3DE2130, 16 bytes long.
 Data: < \&#220;&#243;            > 18 5C DC F3 81 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000281F3DE1F50, 16 bytes long.
 Data: <&#240;[&#220;&#243;            > F0 5B DC F3 81 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000281F3DE1A00, 16 bytes long.
 Data: <&#200;[&#220;&#243;            > C8 5B DC F3 81 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000281F3DDD5D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x00000281F3DE1690, 16 bytes long.
 Data: <&#160;[&#220;&#243;            > A0 5B DC F3 81 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000281F3DC5BA0, 320 bytes long.
 Data: <  &#222;&#243;    &#208;&#213;&#221;&#243;    > 90 16 DE F3 81 02 00 00 D0 D5 DD F3 81 02 00 00 
{267} normal block at 0x00000281F3DE1A50, 16 bytes long.
 Data: <09&#222;&#243;            > 30 39 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000281F3DE1FF0, 16 bytes long.
 Data: < 9&#222;&#243;            > 08 39 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000281F3DDD390, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x00000281F3DE16E0, 16 bytes long.
 Data: <&#224;8&#222;&#243;            > E0 38 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000281F3DDCC70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000281F3DE1E60, 16 bytes long.
 Data: <(8&#222;&#243;            > 28 38 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000281F3DE1AA0, 16 bytes long.
 Data: < 8&#222;&#243;            > 00 38 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000281F3DE14B0, 16 bytes long.
 Data: <&#216;7&#222;&#243;            > D8 37 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000281F3DE2220, 16 bytes long.
 Data: <&#176;7&#222;&#243;            > B0 37 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000281F3DE17D0, 16 bytes long.
 Data: < 7&#222;&#243;            > 88 37 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000281F3DE2180, 16 bytes long.
 Data: <`7&#222;&#243;            > 60 37 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000281F3DE1AF0, 16 bytes long.
 Data: <&#208;&#179;&#221;&#243;            > D0 B3 DD F3 81 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000281F3DDB3D0, 40 bytes long.
 Data: <&#240; &#222;&#243;     &#190;&#161;&#245;    > F0 1A DE F3 81 02 00 00 00 BE A1 F5 81 02 00 00 
{253} normal block at 0x00000281F3DE1910, 16 bytes long.
 Data: <@7&#222;&#243;            > 40 37 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000281F3DE1BE0, 16 bytes long.
 Data: < 7&#222;&#243;            > 18 37 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000281F3DDD870, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x00000281F3DE1960, 16 bytes long.
 Data: <&#240;6&#222;&#243;            > F0 36 DE F3 81 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000281F3DE36F0, 992 bytes long.
 Data: <` &#222;&#243;    p&#216;&#221;&#243;    > 60 19 DE F3 81 02 00 00 70 D8 DD F3 81 02 00 00 
{85} normal block at 0x00000281F3DDD270, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x00000281F3DD6EA0, 16 bytes long.
 Data: < &#182;&#221;&#243;            > 00 B6 DD F3 81 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000281F3DDB600, 40 bytes long.
 Data: <&#160;n&#221;&#243;    p&#210;&#221;&#243;    > A0 6E DD F3 81 02 00 00 70 D2 DD F3 81 02 00 00 
{62} normal block at 0x00000281F3DD67C0, 16 bytes long.
 Data: < &#234; &#237;&#247;           > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000281F3DD6C70, 16 bytes long.
 Data: <@&#233; &#237;&#247;           > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000281F3DD6F40, 16 bytes long.
 Data: <&#248;W&#254;&#236;&#247;           > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000281F3DD7300, 16 bytes long.
 Data: <&#216;W&#254;&#236;&#247;           > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000281F3DD7170, 16 bytes long.
 Data: <P &#254;&#236;&#247;           > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000281F3DD6CC0, 16 bytes long.
 Data: <0 &#254;&#236;&#247;           > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000281F3DD6B80, 16 bytes long.
 Data: <&#224; &#254;&#236;&#247;           > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000281F3DD69F0, 16 bytes long.
 Data: <  &#254;&#236;&#247;           > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000281F3DD69A0, 16 bytes long.
 Data: <p &#254;&#236;&#247;           > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000281F3DD6FE0, 16 bytes long.
 Data: < &#192;&#252;&#236;&#247;           > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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