Task 38678380

Name test_519-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3095_0
Workunit 31620201
Created 26 Oct 2026, 17:13:31 UTC
Sent 26 Oct 2026, 17:13:33 UTC
Report deadline 31 Oct 2026, 17:13:33 UTC
Received 26 Oct 2026, 17:48:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654906
Run time 34 min 14 sec
CPU time 34 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.58 MB
Peak swap size 12.81 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:14:33 (8504): wrapper (7.9.26016): starting
12:14:33 (8504): 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
12:14:34 (8504): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:14:34 (8504): 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\33\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\33\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
12:47:55 (8504): C:/Windows/system32/cmd.exe exited; CPU time 2054.453125
12:47:55 (8504): 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: 32534851 bytes.
Dumping objects ->
{3835543} normal block at 0x000001DEAE793A20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000001DEAE7939B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835521} normal block at 0x000001DEAE7938D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835510} normal block at 0x000001DEAE793A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x000001DEAE793860, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835468} normal block at 0x000001DEB03DB720, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001DEB043CE30, 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) : {3835454} normal block at 0x000001DEAE78F4E0, 8 bytes long.
 Data: <  t&#174;&#222;   > 00 00 74 AE DE 01 00 00 
{3834676} normal block at 0x000001DEB043D5C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000001DEAE78EC70, 8 bytes long.
 Data: <0&#226;:&#176;&#222;   > 30 E2 3A B0 DE 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001DEAE785720, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DEAE786E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000001DEAE795040, 16 bytes long.
 Data: < @y&#174;&#222;           > 98 40 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DEAE7950E0, 16 bytes long.
 Data: <p@y&#174;&#222;           > 70 40 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DEAE791910, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000001DEAE794550, 16 bytes long.
 Data: <H@y&#174;&#222;           > 48 40 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DEAE794B40, 16 bytes long.
 Data: < @y&#174;&#222;           > 20 40 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DEAE794CD0, 16 bytes long.
 Data: <&#248;?y&#174;&#222;           > F8 3F 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DEAE794960, 16 bytes long.
 Data: <&#208;?y&#174;&#222;           > D0 3F 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DEAE7936A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000001DEAE794780, 16 bytes long.
 Data: <x&#240;w&#174;&#222;           > 78 F0 77 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DEAE7917F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000001DEAE794A50, 16 bytes long.
 Data: <P&#240;w&#174;&#222;           > 50 F0 77 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DEAE7948C0, 16 bytes long.
 Data: <(&#240;w&#174;&#222;           > 28 F0 77 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DEAE794EB0, 16 bytes long.
 Data: < &#240;w&#174;&#222;           > 00 F0 77 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DEAE794AF0, 16 bytes long.
 Data: <&#216;&#239;w&#174;&#222;           > D8 EF 77 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DEAE794FF0, 16 bytes long.
 Data: <&#176;&#239;w&#174;&#222;           > B0 EF 77 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DEAE794B90, 16 bytes long.
 Data: < &#239;w&#174;&#222;           > 88 EF 77 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DEAE7916D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000001DEAE794D70, 16 bytes long.
 Data: <`&#239;w&#174;&#222;           > 60 EF 77 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DEAE77EF60, 320 bytes long.
 Data: <pMy&#174;&#222;   &#208; y&#174;&#222;   > 70 4D 79 AE DE 01 00 00 D0 16 79 AE DE 01 00 00 
{266} normal block at 0x000001DEAE7946E0, 16 bytes long.
 Data: <&#176;?y&#174;&#222;           > B0 3F 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DEAE7947D0, 16 bytes long.
 Data: < ?y&#174;&#222;           > 88 3F 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DEAE791B50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000001DEAE794FA0, 16 bytes long.
 Data: <`?y&#174;&#222;           > 60 3F 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DEAE791790, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000001DEAE794280, 16 bytes long.
 Data: <&#168;>y&#174;&#222;           > A8 3E 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DEAE794D20, 16 bytes long.
 Data: < >y&#174;&#222;           > 80 3E 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DEAE78F0D0, 16 bytes long.
 Data: <X>y&#174;&#222;           > 58 3E 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DEAE78EF40, 16 bytes long.
 Data: <0>y&#174;&#222;           > 30 3E 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001DEAE78F080, 16 bytes long.
 Data: < >y&#174;&#222;           > 08 3E 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DEAE78F3F0, 16 bytes long.
 Data: <&#224;=y&#174;&#222;           > E0 3D 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001DEAE78ED60, 16 bytes long.
 Data: <@9y&#174;&#222;           > 40 39 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001DEAE793940, 40 bytes long.
 Data: <`&#237;x&#174;&#222;    &#183;=&#176;&#222;   > 60 ED 78 AE DE 01 00 00 20 B7 3D B0 DE 01 00 00 
{252} normal block at 0x000001DEAE78F580, 16 bytes long.
 Data: <&#192;=y&#174;&#222;           > C0 3D 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001DEAE78F9E0, 16 bytes long.
 Data: < =y&#174;&#222;           > 98 3D 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001DEAE791370, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000001DEAE78F3A0, 16 bytes long.
 Data: <p=y&#174;&#222;           > 70 3D 79 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001DEAE793D70, 992 bytes long.
 Data: <&#160;&#243;x&#174;&#222;   p y&#174;&#222;   > A0 F3 78 AE DE 01 00 00 70 13 79 AE DE 01 00 00 
{84} normal block at 0x000001DEAE7918B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000001DEAE78F260, 16 bytes long.
 Data: < &#234;x&#174;&#222;           > 10 EA 78 AE DE 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001DEAE78EA10, 40 bytes long.
 Data: <`&#242;x&#174;&#222;   &#176; y&#174;&#222;   > 60 F2 78 AE DE 01 00 00 B0 18 79 AE DE 01 00 00 
{61} normal block at 0x000001DEAE78EAE0, 16 bytes long.
 Data: < &#234;0 &#247;           > 80 EA 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DEAE78ECC0, 16 bytes long.
 Data: <@&#233;0 &#247;           > 40 E9 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DEAE78EFE0, 16 bytes long.
 Data: <&#248;W- &#247;           > F8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001DEAE78EC20, 16 bytes long.
 Data: <&#216;W- &#247;           > D8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001DEAE78F990, 16 bytes long.
 Data: <P - &#247;           > 50 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001DEAE78FA30, 16 bytes long.
 Data: <0 - &#247;           > 30 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001DEAE78F760, 16 bytes long.
 Data: <&#224; - &#247;           > E0 02 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001DEAE78F800, 16 bytes long.
 Data: <  - &#247;           > 10 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001DEAE78F6C0, 16 bytes long.
 Data: <p - &#247;           > 70 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001DEAE78F1C0, 16 bytes long.
 Data: < &#192;+ &#247;           > 18 C0 2B 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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