Task 38684377

Name test_926-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8590_0
Workunit 31625892
Created 27 Oct 2026, 16:02:11 UTC
Sent 27 Oct 2026, 16:02:19 UTC
Report deadline 1 Nov 2026, 16:02:19 UTC
Received 27 Oct 2026, 17:54:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 562809
Run time 1 hours 50 min 23 sec
CPU time 1 hours 45 min 12 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 643.78 MB
Peak swap size 5.20 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:06:23 (7324): wrapper (7.9.26016): starting
10:06:23 (7324): 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
10:06:27 (7324): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:06:28 (7324): 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\12\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\12\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
11:53:48 (7324): C:/Windows/system32/cmd.exe exited; CPU time 6312.375000
11:53:48 (7324): 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: 73718047 bytes.
Dumping objects ->
{3835249} normal block at 0x000001F126EBC590, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001F126EBC360, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001F126EBBAA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x000001F126EBBB80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001F126EBC830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x000001F126F5BE40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001F125422510, 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) : {3835160} normal block at 0x000001F125416810, 8 bytes long.
 Data: <  :%&#241;   > 00 00 3A 25 F1 01 00 00 
{3834553} normal block at 0x000001F125421CC0, 235 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 0x000001F125416770, 8 bytes long.
 Data: < &#201;&#235;&&#241;   > 80 C9 EB 26 F1 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001F12541F9E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F125405AF0, 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 0x000001F1254209D0, 16 bytes long.
 Data: <&#232;.B%&#241;           > E8 2E 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F125420980, 16 bytes long.
 Data: <&#192;.B%&#241;           > C0 2E 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F12541C730, 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 0x000001F125420930, 16 bytes long.
 Data: < .B%&#241;           > 98 2E 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F1254208E0, 16 bytes long.
 Data: <p.B%&#241;           > 70 2E 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F125420840, 16 bytes long.
 Data: <H.B%&#241;           > 48 2E 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F1254213D0, 16 bytes long.
 Data: < .B%&#241;           > 20 2E 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F12541AC30, 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 0x000001F125421290, 16 bytes long.
 Data: < Z@%&#241;           > 88 5A 40 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F12541BEF0, 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 0x000001F125421420, 16 bytes long.
 Data: <`Z@%&#241;           > 60 5A 40 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F125420A20, 16 bytes long.
 Data: <8Z@%&#241;           > 38 5A 40 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F125420F70, 16 bytes long.
 Data: < Z@%&#241;           > 10 5A 40 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F125420AC0, 16 bytes long.
 Data: <&#232;Y@%&#241;           > E8 59 40 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F125420C00, 16 bytes long.
 Data: <&#192;Y@%&#241;           > C0 59 40 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F125421740, 16 bytes long.
 Data: < Y@%&#241;           > 98 59 40 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F12541CA30, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x000001F125421240, 16 bytes long.
 Data: <pY@%&#241;           > 70 59 40 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F125405970, 320 bytes long.
 Data: <@ B%&#241;   0&#202;A%&#241;   > 40 12 42 25 F1 01 00 00 30 CA 41 25 F1 01 00 00 
{267} normal block at 0x000001F125421470, 16 bytes long.
 Data: < .B%&#241;           > 00 2E 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F1254216F0, 16 bytes long.
 Data: <&#216;-B%&#241;           > D8 2D 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F12541C370, 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 0x000001F1254212E0, 16 bytes long.
 Data: <&#176;-B%&#241;           > B0 2D 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F12541CC10, 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 0x000001F125420E30, 16 bytes long.
 Data: <&#248;,B%&#241;           > F8 2C 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F125420DE0, 16 bytes long.
 Data: <&#208;,B%&#241;           > D0 2C 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F125421510, 16 bytes long.
 Data: <&#168;,B%&#241;           > A8 2C 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F1254211F0, 16 bytes long.
 Data: < ,B%&#241;           > 80 2C 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F125420B60, 16 bytes long.
 Data: <X,B%&#241;           > 58 2C 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F125420D90, 16 bytes long.
 Data: <0,B%&#241;           > 30 2C 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F1254215B0, 16 bytes long.
 Data: <&#176;&#175;A%&#241;           > B0 AF 41 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F12541AFB0, 40 bytes long.
 Data: <&#176; B%&#241;   @&#190;&#245;&&#241;   > B0 15 42 25 F1 01 00 00 40 BE F5 26 F1 01 00 00 
{253} normal block at 0x000001F125420FC0, 16 bytes long.
 Data: < ,B%&#241;           > 10 2C 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001F1254216A0, 16 bytes long.
 Data: <&#232;+B%&#241;           > E8 2B 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001F12541CBB0, 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 0x000001F125421560, 16 bytes long.
 Data: <&#192;+B%&#241;           > C0 2B 42 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001F125422BC0, 992 bytes long.
 Data: <` B%&#241;   &#176;&#203;A%&#241;   > 60 15 42 25 F1 01 00 00 B0 CB 41 25 F1 01 00 00 
{85} normal block at 0x000001F12541C970, 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 0x000001F125415FF0, 16 bytes long.
 Data: <p&#177;A%&#241;           > 70 B1 41 25 F1 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001F12541B170, 40 bytes long.
 Data: <&#240;_A%&#241;   p&#201;A%&#241;   > F0 5F 41 25 F1 01 00 00 70 C9 41 25 F1 01 00 00 
{62} normal block at 0x000001F125416860, 16 bytes long.
 Data: < &#234;&&#243;&#247;           > 80 EA 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F1254166D0, 16 bytes long.
 Data: <@&#233;&&#243;&#247;           > 40 E9 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F1254161D0, 16 bytes long.
 Data: <&#248;W#&#243;&#247;           > F8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F125416680, 16 bytes long.
 Data: <&#216;W#&#243;&#247;           > D8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F125415E10, 16 bytes long.
 Data: <P #&#243;&#247;           > 50 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F125416180, 16 bytes long.
 Data: <0 #&#243;&#247;           > 30 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F125416310, 16 bytes long.
 Data: <&#224; #&#243;&#247;           > E0 02 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F125416900, 16 bytes long.
 Data: <  #&#243;&#247;           > 10 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001F125416CC0, 16 bytes long.
 Data: <p #&#243;&#247;           > 70 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001F125416220, 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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