Task 38683704

Name test_23-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6556_0
Workunit 31625255
Created 27 Oct 2026, 12:56:16 UTC
Sent 27 Oct 2026, 12:56:16 UTC
Report deadline 1 Nov 2026, 12:56:16 UTC
Received 27 Oct 2026, 14:07:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624957
Run time 1 hours 2 min 25 sec
CPU time 59 min 57 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 700.56 MB
Peak swap size 6.84 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:05:58 (24984): wrapper (7.9.26016): starting
08:05:58 (24984): 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
08:06:00 (24984): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:06:00 (24984): 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\1\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\1\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
09:06:52 (24984): C:/Windows/system32/cmd.exe exited; CPU time 3597.421875
09:06:52 (24984): 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: 68217233 bytes.
Dumping objects ->
{3835204} normal block at 0x0000017171818AC0, 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 0x000001716FAE4C90, 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 0x000001716FAE4D00, 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 0x000001716FAE4910, 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 0x000001716FAE48A0, 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 0x0000017171825500, 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 0x000001716FADEEC0, 8 bytes long.
 Data: <   pq   > 00 00 02 70 71 01 00 00 
{3833967} normal block at 0x000001716FADEA10, 8 bytes long.
 Data: <0Z&#139;qq   > 30 5A 8B 71 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001716FAE1020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001716FAD5F10, 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 0x000001716FAE5F60, 16 bytes long.
 Data: <&#184;f&#174;oq           > B8 66 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001716FAE59C0, 16 bytes long.
 Data: < f&#174;oq           > 90 66 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001716FAE0790, 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 0x000001716FAE5DD0, 16 bytes long.
 Data: <hf&#174;oq           > 68 66 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001716FAE5470, 16 bytes long.
 Data: <@f&#174;oq           > 40 66 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001716FAE5C40, 16 bytes long.
 Data: < f&#174;oq           > 18 66 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001716FAE5420, 16 bytes long.
 Data: <&#240;e&#174;oq           > F0 65 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001716FAE4B40, 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 0x000001716FAE5880, 16 bytes long.
 Data: <h &#173;oq           > 68 90 AD 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001716FADFFB0, 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 0x000001716FAE5B50, 16 bytes long.
 Data: <@ &#173;oq           > 40 90 AD 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001716FAE5E70, 16 bytes long.
 Data: <  &#173;oq           > 18 90 AD 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001716FAE6190, 16 bytes long.
 Data: <&#240; &#173;oq           > F0 8F AD 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001716FAE6000, 16 bytes long.
 Data: <&#200; &#173;oq           > C8 8F AD 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001716FAE6280, 16 bytes long.
 Data: <&#160; &#173;oq           > A0 8F AD 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001716FAE6140, 16 bytes long.
 Data: <x &#173;oq           > 78 8F AD 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001716FAE0370, 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 0x000001716FAE62D0, 16 bytes long.
 Data: <P &#173;oq           > 50 8F AD 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001716FAD8F50, 320 bytes long.
 Data: <&#208;b&#174;oq   p &#174;oq   > D0 62 AE 6F 71 01 00 00 70 03 AE 6F 71 01 00 00 
{279} normal block at 0x000001716FAE5CE0, 16 bytes long.
 Data: <&#208;e&#174;oq           > D0 65 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001716FAE6230, 16 bytes long.
 Data: <&#168;e&#174;oq           > A8 65 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001716FADFDD0, 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 0x000001716FAE5830, 16 bytes long.
 Data: < e&#174;oq           > 80 65 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001716FAE00D0, 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 0x000001716FAE5F10, 16 bytes long.
 Data: <&#200;d&#174;oq           > C8 64 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001716FAE5650, 16 bytes long.
 Data: <&#160;d&#174;oq           > A0 64 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001716FAE56A0, 16 bytes long.
 Data: <xd&#174;oq           > 78 64 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001716FAE5FB0, 16 bytes long.
 Data: <Pd&#174;oq           > 50 64 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001716FAE57E0, 16 bytes long.
 Data: <(d&#174;oq           > 28 64 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001716FAE53D0, 16 bytes long.
 Data: < d&#174;oq           > 00 64 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001716FAE5600, 16 bytes long.
 Data: < L&#174;oq           > 20 4C AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001716FAE4C20, 40 bytes long.
 Data: < V&#174;oq    U&#130;qq   > 00 56 AE 6F 71 01 00 00 00 55 82 71 71 01 00 00 
{265} normal block at 0x000001716FAE56F0, 16 bytes long.
 Data: <&#224;c&#174;oq           > E0 63 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001716FAE5D30, 16 bytes long.
 Data: <&#184;c&#174;oq           > B8 63 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001716FADFAD0, 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 0x000001716FAE5A60, 16 bytes long.
 Data: < c&#174;oq           > 90 63 AE 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001716FAE6390, 992 bytes long.
 Data: <`Z&#174;oq   &#208;&#250;&#173;oq   > 60 5A AE 6F 71 01 00 00 D0 FA AD 6F 71 01 00 00 
{97} normal block at 0x000001716FAE03D0, 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 0x000001716FADE880, 16 bytes long.
 Data: <&#224;&#228;&#172;oq           > E0 E4 AC 6F 71 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001716FACE4E0, 40 bytes long.
 Data: < &#232;&#173;oq   &#208; &#174;oq   > 80 E8 AD 6F 71 01 00 00 D0 03 AE 6F 71 01 00 00 
{74} normal block at 0x000001716FADEE20, 16 bytes long.
 Data: < &#234;|&#203;&#247;           > 80 EA 7C CB F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001716FADEF60, 16 bytes long.
 Data: <@&#233;|&#203;&#247;           > 40 E9 7C CB F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001716FADEC90, 16 bytes long.
 Data: <&#248;Wy&#203;&#247;           > F8 57 79 CB F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001716FADF1E0, 16 bytes long.
 Data: <&#216;Wy&#203;&#247;           > D8 57 79 CB F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001716FADF190, 16 bytes long.
 Data: <P y&#203;&#247;           > 50 04 79 CB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001716FADF640, 16 bytes long.
 Data: <0 y&#203;&#247;           > 30 04 79 CB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001716FADEFB0, 16 bytes long.
 Data: <&#224; y&#203;&#247;           > E0 02 79 CB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001716FADF7D0, 16 bytes long.
 Data: <  y&#203;&#247;           > 10 04 79 CB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001716FADF6E0, 16 bytes long.
 Data: <p y&#203;&#247;           > 70 04 79 CB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001716FADF780, 16 bytes long.
 Data: < &#192;w&#203;&#247;           > 18 C0 77 CB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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