Task 38684827

Name test_134-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7648_0
Workunit 31626328
Created 27 Oct 2026, 18:11:39 UTC
Sent 27 Oct 2026, 18:11:44 UTC
Report deadline 1 Nov 2026, 18:11:44 UTC
Received 27 Oct 2026, 19:14:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624957
Run time 1 hours 2 min 12 sec
CPU time 59 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 666.57 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:13:33 (30240): wrapper (7.9.26016): starting
13:13:33 (30240): 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
13:13:34 (30240): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:13:34 (30240): 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\17\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\17\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
14:14:12 (30240): C:/Windows/system32/cmd.exe exited; CPU time 3584.203125
14:14:12 (30240): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 68101661 bytes.
Dumping objects ->
{3835204} normal block at 0x000001A076FFD500, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000001A075324910, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001A075324E50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835171} normal block at 0x000001A0753249F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x000001A075324EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835129} normal block at 0x000001A077048600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835116} normal block at 0x000001A07531EA60, 8 bytes long.
 Data: <   u&#160;   > 00 00 98 75 A0 01 00 00 
{3833967} normal block at 0x000001A07531F050, 8 bytes long.
 Data: < &#234;&#245;v&#160;   > 00 EA F5 76 A0 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A0753212A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A075315E80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001A075325E70, 16 bytes long.
 Data: <&#184;f2u&#160;           > B8 66 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A075326050, 16 bytes long.
 Data: < f2u&#160;           > 90 66 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A075320550, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001A0753256F0, 16 bytes long.
 Data: <hf2u&#160;           > 68 66 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A075325880, 16 bytes long.
 Data: <@f2u&#160;           > 40 66 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A0753259C0, 16 bytes long.
 Data: < f2u&#160;           > 18 66 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A0753261E0, 16 bytes long.
 Data: <&#240;e2u&#160;           > F0 65 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A075324A60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001A075326140, 16 bytes long.
 Data: <h 1u&#160;           > 68 90 31 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A075320130, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001A075325650, 16 bytes long.
 Data: <@ 1u&#160;           > 40 90 31 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A075325600, 16 bytes long.
 Data: <  1u&#160;           > 18 90 31 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A0753260F0, 16 bytes long.
 Data: <&#240; 1u&#160;           > F0 8F 31 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A075325970, 16 bytes long.
 Data: <&#200; 1u&#160;           > C8 8F 31 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A075325E20, 16 bytes long.
 Data: <&#160; 1u&#160;           > A0 8F 31 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A075325F10, 16 bytes long.
 Data: <x 1u&#160;           > 78 8F 31 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A07531FB30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001A075326000, 16 bytes long.
 Data: <P 1u&#160;           > 50 8F 31 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A075318F50, 320 bytes long.
 Data: < `2u&#160;   0&#251;1u&#160;   > 00 60 32 75 A0 01 00 00 30 FB 31 75 A0 01 00 00 
{279} normal block at 0x000001A075325FB0, 16 bytes long.
 Data: <&#208;e2u&#160;           > D0 65 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A0753256A0, 16 bytes long.
 Data: <&#168;e2u&#160;           > A8 65 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A07531F950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001A0753260A0, 16 bytes long.
 Data: < e2u&#160;           > 80 65 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A075320010, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001A075325DD0, 16 bytes long.
 Data: <&#200;d2u&#160;           > C8 64 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A075325470, 16 bytes long.
 Data: <&#160;d2u&#160;           > A0 64 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A0753258D0, 16 bytes long.
 Data: <xd2u&#160;           > 78 64 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A075325CE0, 16 bytes long.
 Data: <Pd2u&#160;           > 50 64 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A075325BA0, 16 bytes long.
 Data: <(d2u&#160;           > 28 64 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A075326230, 16 bytes long.
 Data: < d2u&#160;           > 00 64 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A075325D30, 16 bytes long.
 Data: <&#208;J2u&#160;           > D0 4A 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A075324AD0, 40 bytes long.
 Data: <0]2u&#160;    &#134; w&#160;   > 30 5D 32 75 A0 01 00 00 00 86 04 77 A0 01 00 00 
{265} normal block at 0x000001A075325F60, 16 bytes long.
 Data: <&#224;c2u&#160;           > E0 63 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A075325BF0, 16 bytes long.
 Data: <&#184;c2u&#160;           > B8 63 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A07531FFB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001A075326190, 16 bytes long.
 Data: < c2u&#160;           > 90 63 32 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A075326390, 992 bytes long.
 Data: < a2u&#160;   &#176;&#255;1u&#160;   > 90 61 32 75 A0 01 00 00 B0 FF 31 75 A0 01 00 00 
{97} normal block at 0x000001A07531F8F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001A07531F0A0, 16 bytes long.
 Data: <&#224;&#228;0u&#160;           > E0 E4 30 75 A0 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001A07530E4E0, 40 bytes long.
 Data: <&#160;&#240;1u&#160;   &#240;&#248;1u&#160;   > A0 F0 31 75 A0 01 00 00 F0 F8 31 75 A0 01 00 00 
{74} normal block at 0x000001A07531EA10, 16 bytes long.
 Data: < &#234;&#207;&#205;&#247;           > 80 EA CF CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A07531EF60, 16 bytes long.
 Data: <@&#233;&#207;&#205;&#247;           > 40 E9 CF CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A07531F4B0, 16 bytes long.
 Data: <&#248;W&#204;&#205;&#247;           > F8 57 CC CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A07531EB50, 16 bytes long.
 Data: <&#216;W&#204;&#205;&#247;           > D8 57 CC CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A07531EFB0, 16 bytes long.
 Data: <P &#204;&#205;&#247;           > 50 04 CC CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A07531ECE0, 16 bytes long.
 Data: <0 &#204;&#205;&#247;           > 30 04 CC CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A07531F640, 16 bytes long.
 Data: <&#224; &#204;&#205;&#247;           > E0 02 CC CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A07531EC40, 16 bytes long.
 Data: <  &#204;&#205;&#247;           > 10 04 CC CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A07531F280, 16 bytes long.
 Data: <p &#204;&#205;&#247;           > 70 04 CC CD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A07531F1E0, 16 bytes long.
 Data: < &#192;&#202;&#205;&#247;           > 18 C0 CA CD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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