Task 38684900

Name test_839-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2081_0
Workunit 31626399
Created 27 Oct 2026, 18:27:51 UTC
Sent 27 Oct 2026, 18:28:10 UTC
Report deadline 1 Nov 2026, 18:28:10 UTC
Received 27 Oct 2026, 20:03:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652180
Run time 52 min 27 sec
CPU time 50 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,742.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.05 MB
Peak swap size 14.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
20:12:42 (15552): wrapper (7.9.26016): starting
20:12:42 (15552): 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
20:12:44 (15552): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:12:44 (15552): 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\66\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\66\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
21:03:06 (15552): C:/Windows/system32/cmd.exe exited; CPU time 3040.140625
21:03:06 (15552): 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: 53884527 bytes.
Dumping objects ->
{3835218} normal block at 0x0000022C541075F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000022C54106D30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000022C54107510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835185} normal block at 0x0000022C54106DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x0000022C54106FD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835143} normal block at 0x0000022C540AB510, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x0000022C5410D180, 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) : {3835129} normal block at 0x0000022C52326DC0, 8 bytes long.
 Data: <  +R,   > 00 00 2B 52 2C 02 00 00 
{3834528} normal block at 0x0000022C5410D0D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000022C52326EB0, 8 bytes long.
 Data: <0&#239; T,   > 30 EF 06 54 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000022C523314D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022C52315C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000022C523326A0, 16 bytes long.
 Data: <&#200;53R,           > C8 35 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022C523324C0, 16 bytes long.
 Data: <&#160;53R,           > A0 35 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C5232CCC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000022C52332380, 16 bytes long.
 Data: <x53R,           > 78 35 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022C52332F10, 16 bytes long.
 Data: <P53R,           > 50 35 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022C52332BF0, 16 bytes long.
 Data: <(53R,           > 28 35 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022C52332330, 16 bytes long.
 Data: < 53R,           > 00 35 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022C5232B200, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000022C52332600, 16 bytes long.
 Data: <&#232;[1R,           > E8 5B 31 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C5232D380, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000022C523326F0, 16 bytes long.
 Data: <&#192;[1R,           > C0 5B 31 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022C52332BA0, 16 bytes long.
 Data: < [1R,           > 98 5B 31 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022C52332D80, 16 bytes long.
 Data: <p[1R,           > 70 5B 31 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022C52332420, 16 bytes long.
 Data: <H[1R,           > 48 5B 31 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022C52333230, 16 bytes long.
 Data: < [1R,           > 20 5B 31 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022C52332D30, 16 bytes long.
 Data: <&#248;Z1R,           > F8 5A 31 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022C5232C840, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000022C523330A0, 16 bytes long.
 Data: <&#208;Z1R,           > D0 5A 31 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C52315AD0, 320 bytes long.
 Data: <&#160;03R,   @&#200;2R,   > A0 30 33 52 2C 02 00 00 40 C8 32 52 2C 02 00 00 
{269} normal block at 0x0000022C52333190, 16 bytes long.
 Data: <&#224;43R,           > E0 34 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022C52332B00, 16 bytes long.
 Data: <&#184;43R,           > B8 34 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022C5232C660, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000022C523327E0, 16 bytes long.
 Data: < 43R,           > 90 34 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022C5232CFC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000022C52332650, 16 bytes long.
 Data: <&#216;33R,           > D8 33 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022C52332AB0, 16 bytes long.
 Data: <&#176;33R,           > B0 33 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022C52333050, 16 bytes long.
 Data: < 33R,           > 88 33 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022C52333000, 16 bytes long.
 Data: <`33R,           > 60 33 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022C52332970, 16 bytes long.
 Data: <833R,           > 38 33 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022C523330F0, 16 bytes long.
 Data: < 33R,           > 10 33 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022C52332FB0, 16 bytes long.
 Data: <&#176;&#176;2R,           > B0 B0 32 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022C5232B0B0, 40 bytes long.
 Data: <&#176;/3R,    &#181; T,   > B0 2F 33 52 2C 02 00 00 10 B5 0A 54 2C 02 00 00 
{255} normal block at 0x0000022C52332CE0, 16 bytes long.
 Data: <&#240;23R,           > F0 32 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022C523325B0, 16 bytes long.
 Data: <&#200;23R,           > C8 32 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022C5232CBA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000022C523329C0, 16 bytes long.
 Data: <&#160;23R,           > A0 32 33 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000022C523332A0, 992 bytes long.
 Data: <&#192;)3R,   &#160;&#203;2R,   > C0 29 33 52 2C 02 00 00 A0 CB 32 52 2C 02 00 00 
{87} normal block at 0x0000022C5232D020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000022C52327090, 16 bytes long.
 Data: <&#176;&#183;2R,           > B0 B7 32 52 2C 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000022C5232B7B0, 40 bytes long.
 Data: < p2R,    &#208;2R,   > 90 70 32 52 2C 02 00 00 20 D0 32 52 2C 02 00 00 
{64} normal block at 0x0000022C52327270, 16 bytes long.
 Data: < &#234;&#224;&#209;&#247;           > 80 EA E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022C52326AF0, 16 bytes long.
 Data: <@&#233;&#224;&#209;&#247;           > 40 E9 E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022C52326690, 16 bytes long.
 Data: <&#248;W&#221;&#209;&#247;           > F8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022C52326E10, 16 bytes long.
 Data: <&#216;W&#221;&#209;&#247;           > D8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022C52326E60, 16 bytes long.
 Data: <P &#221;&#209;&#247;           > 50 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022C52327220, 16 bytes long.
 Data: <0 &#221;&#209;&#247;           > 30 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022C52326320, 16 bytes long.
 Data: <&#224; &#221;&#209;&#247;           > E0 02 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022C52326A00, 16 bytes long.
 Data: <  &#221;&#209;&#247;           > 10 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022C52326960, 16 bytes long.
 Data: <p &#221;&#209;&#247;           > 70 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022C52326AA0, 16 bytes long.
 Data: < &#192;&#219;&#209;&#247;           > 18 C0 DB D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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