Task 38673344

Name test_277-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND6740_0
Workunit 31615430
Created 26 Oct 2026, 2:08:46 UTC
Sent 26 Oct 2026, 2:08:54 UTC
Report deadline 31 Oct 2026, 2:08:54 UTC
Received 26 Oct 2026, 5:14:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 562809
Run time 1 hours 13 min 18 sec
CPU time 1 hours 8 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.03 MB
Peak swap size 5.32 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:03:26 (6740): wrapper (7.9.26016): starting
22:03:26 (6740): 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
22:03:29 (6740): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:03:29 (6740): 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\10\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\10\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
23:14:00 (6740): C:/Windows/system32/cmd.exe exited; CPU time 4133.703125
23:14:00 (6740): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 48693823 bytes.
Dumping objects ->
{3835251} normal block at 0x000002018D8B08B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000002018D8B0D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002018D8B1100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000002018D8B1560, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000002018D8B15D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000002018D95C340, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000002018BDE2440, 235 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) : {3835162} normal block at 0x000002018BDD63F0, 8 bytes long.
 Data: <  &#214;&#139;    > 00 00 D6 8B 01 02 00 00 
{3834555} normal block at 0x000002018BDE2DC0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000002018BDD6260, 8 bytes long.
 Data: <&#192; &#140;     > C0 10 8C 8D 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002018BDDFE90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002018BDCAE00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002018BDE1600, 16 bytes long.
 Data: < 3&#222;&#139;            > 98 33 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002018BDE1290, 16 bytes long.
 Data: <p3&#222;&#139;            > 70 33 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002018BDDCB80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002018BDE11F0, 16 bytes long.
 Data: <H3&#222;&#139;            > 48 33 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002018BDE1830, 16 bytes long.
 Data: < 3&#222;&#139;            > 20 33 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002018BDE1060, 16 bytes long.
 Data: <&#248;2&#222;&#139;            > F8 32 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002018BDE0F20, 16 bytes long.
 Data: <&#208;2&#222;&#139;            > D0 32 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002018BDDB220, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002018BDE1010, 16 bytes long.
 Data: <&#216;Z&#220;&#139;            > D8 5A DC 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002018BDDC9A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002018BDE16F0, 16 bytes long.
 Data: <&#176;Z&#220;&#139;            > B0 5A DC 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002018BDE10B0, 16 bytes long.
 Data: < Z&#220;&#139;            > 88 5A DC 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002018BDE1420, 16 bytes long.
 Data: <`Z&#220;&#139;            > 60 5A DC 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002018BDE0D40, 16 bytes long.
 Data: <8Z&#220;&#139;            > 38 5A DC 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002018BDE0ED0, 16 bytes long.
 Data: < Z&#220;&#139;            > 10 5A DC 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002018BDE19C0, 16 bytes long.
 Data: <&#232;Y&#220;&#139;            > E8 59 DC 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002018BDDCD60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002018BDE1BF0, 16 bytes long.
 Data: <&#192;Y&#220;&#139;            > C0 59 DC 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002018BDC59C0, 320 bytes long.
 Data: <&#240; &#222;&#139;    `&#205;&#221;&#139;    > F0 1B DE 8B 01 02 00 00 60 CD DD 8B 01 02 00 00 
{268} normal block at 0x000002018BDE16A0, 16 bytes long.
 Data: <&#176;2&#222;&#139;            > B0 32 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002018BDE1AB0, 16 bytes long.
 Data: < 2&#222;&#139;            > 88 32 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002018BDDC940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002018BDE0E80, 16 bytes long.
 Data: <`2&#222;&#139;            > 60 32 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002018BDDC880, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002018BDE0E30, 16 bytes long.
 Data: <&#168;1&#222;&#139;            > A8 31 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002018BDE1A60, 16 bytes long.
 Data: < 1&#222;&#139;            > 80 31 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002018BDE0F70, 16 bytes long.
 Data: <X1&#222;&#139;            > 58 31 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002018BDE1470, 16 bytes long.
 Data: <01&#222;&#139;            > 30 31 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002018BDE1920, 16 bytes long.
 Data: < 1&#222;&#139;            > 08 31 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002018BDE0CF0, 16 bytes long.
 Data: <&#224;0&#222;&#139;            > E0 30 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002018BDE1380, 16 bytes long.
 Data: <@&#177;&#221;&#139;            > 40 B1 DD 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002018BDDB140, 40 bytes long.
 Data: <  &#222;&#139;    @&#195;&#149;     > 80 13 DE 8B 01 02 00 00 40 C3 95 8D 01 02 00 00 
{254} normal block at 0x000002018BDE17E0, 16 bytes long.
 Data: <&#192;0&#222;&#139;            > C0 30 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002018BDE15B0, 16 bytes long.
 Data: < 0&#222;&#139;            > 98 30 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002018BDDD000, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002018BDE0CA0, 16 bytes long.
 Data: <p0&#222;&#139;            > 70 30 DE 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002018BDE3070, 992 bytes long.
 Data: <&#160; &#222;&#139;     &#208;&#221;&#139;    > A0 0C DE 8B 01 02 00 00 00 D0 DD 8B 01 02 00 00 
{86} normal block at 0x000002018BDDC8E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002018BDD6B70, 16 bytes long.
 Data: <&#208;&#176;&#221;&#139;            > D0 B0 DD 8B 01 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002018BDDB0D0, 40 bytes long.
 Data: <pk&#221;&#139;    &#224;&#200;&#221;&#139;    > 70 6B DD 8B 01 02 00 00 E0 C8 DD 8B 01 02 00 00 
{63} normal block at 0x000002018BDD7070, 16 bytes long.
 Data: < &#234;&&#243;&#247;           > 80 EA 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002018BDD6990, 16 bytes long.
 Data: <@&#233;&&#243;&#247;           > 40 E9 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002018BDD6350, 16 bytes long.
 Data: <&#248;W#&#243;&#247;           > F8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002018BDD7020, 16 bytes long.
 Data: <&#216;W#&#243;&#247;           > D8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002018BDD68F0, 16 bytes long.
 Data: <P #&#243;&#247;           > 50 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002018BDD6620, 16 bytes long.
 Data: <0 #&#243;&#247;           > 30 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002018BDD6F80, 16 bytes long.
 Data: <&#224; #&#243;&#247;           > E0 02 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002018BDD70C0, 16 bytes long.
 Data: <  #&#243;&#247;           > 10 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002018BDD6490, 16 bytes long.
 Data: <p #&#243;&#247;           > 70 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002018BDD63A0, 16 bytes long.
 Data: < &#192;!&#243;&#247;           > 18 C0 21 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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