Task 38672181

Name test_68-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND9667_1
Workunit 31614287
Created 25 Oct 2026, 22:41:08 UTC
Sent 25 Oct 2026, 22:41:13 UTC
Report deadline 30 Oct 2026, 22:41:13 UTC
Received 26 Oct 2026, 11:05:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 14 min 41 sec
CPU time 13 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 765.60 MB
Peak swap size 13.06 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
11:51:22 (16108): wrapper (7.9.26016): starting
11:51:22 (16108): 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
11:51:23 (16108): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:51:23 (16108): 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:\DataBOINC\slots\0\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:\DataBOINC\slots\0\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
12:05:29 (16108): C:/Windows/system32/cmd.exe exited; CPU time 804.171875
12:05:29 (16108): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 13694331 bytes.
Dumping objects ->
{3835610} normal block at 0x0000028104015670, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x0000028105D464E0, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x0000028105D46360, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x0000028105D460C0, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x0000028105D46BA0, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x0000028104015520, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x0000028105D0EC30, 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) : {3835521} normal block at 0x000002810400DA90, 8 bytes long.
 Data: <  &#251;     > 00 00 FB 03 81 02 00 00 
{3834715} normal block at 0x0000028105D0F050, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002810400DC70, 8 bytes long.
 Data: < &#229;&#192;     > 00 E5 C0 05 81 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000028104011BE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028104006770, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000028104016B60, 16 bytes long.
 Data: <Ho              > 48 6F 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028104016570, 16 bytes long.
 Data: < o              > 20 6F 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002810400FF70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000028104016B10, 16 bytes long.
 Data: <&#248;n              > F8 6E 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000281040160C0, 16 bytes long.
 Data: <&#208;n              > D0 6E 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028104016070, 16 bytes long.
 Data: <&#168;n              > A8 6E 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028104016700, 16 bytes long.
 Data: < n              > 80 6E 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000281040152F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000028104016020, 16 bytes long.
 Data: <&#216;&#148;              > D8 94 00 04 81 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028104010450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000028104015FD0, 16 bytes long.
 Data: <&#176;&#148;              > B0 94 00 04 81 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028104015F30, 16 bytes long.
 Data: < &#148;              > 88 94 00 04 81 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028104016AC0, 16 bytes long.
 Data: <`&#148;              > 60 94 00 04 81 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028104016980, 16 bytes long.
 Data: <8&#148;              > 38 94 00 04 81 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000281040164D0, 16 bytes long.
 Data: < &#148;              > 10 94 00 04 81 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000281040166B0, 16 bytes long.
 Data: <&#232;&#147;              > E8 93 00 04 81 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028104010150, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000028104015E90, 16 bytes long.
 Data: <&#192;&#147;              > C0 93 00 04 81 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000281040093C0, 320 bytes long.
 Data: < ^      P       > 90 5E 01 04 81 02 00 00 50 01 01 04 81 02 00 00 
{276} normal block at 0x0000028104016930, 16 bytes long.
 Data: <`n              > 60 6E 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028104016250, 16 bytes long.
 Data: <8n              > 38 6E 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000281040102D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000281040162A0, 16 bytes long.
 Data: < n              > 10 6E 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002810400F8B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000028104016A20, 16 bytes long.
 Data: <Xm              > 58 6D 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028104015DF0, 16 bytes long.
 Data: <0m              > 30 6D 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028104016480, 16 bytes long.
 Data: < m              > 08 6D 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028104015EE0, 16 bytes long.
 Data: <&#224;l              > E0 6C 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000281040168E0, 16 bytes long.
 Data: <&#184;l              > B8 6C 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028104016840, 16 bytes long.
 Data: < l              > 90 6C 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028104016660, 16 bytes long.
 Data: < U              > 90 55 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028104015590, 40 bytes long.
 Data: <`f       U      > 60 66 01 04 81 02 00 00 20 55 01 04 81 02 00 00 
{262} normal block at 0x0000028104015DA0, 16 bytes long.
 Data: <pl              > 70 6C 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028104016890, 16 bytes long.
 Data: <Hl              > 48 6C 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002810400FB50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000281040169D0, 16 bytes long.
 Data: < l              > 20 6C 01 04 81 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028104016C20, 992 bytes long.
 Data: <&#208;i      P&#251;      > D0 69 01 04 81 02 00 00 50 FB 00 04 81 02 00 00 
{94} normal block at 0x000002810400F9D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002810400E210, 16 bytes long.
 Data: <&#208;&#246;&#255;             > D0 F6 FF 03 81 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000028103FFF6D0, 40 bytes long.
 Data: < &#226;      &#208;&#249;      > 10 E2 00 04 81 02 00 00 D0 F9 00 04 81 02 00 00 
{71} normal block at 0x000002810400DBD0, 16 bytes long.
 Data: < &#234;!Q&#247;           > 80 EA 21 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002810400E4E0, 16 bytes long.
 Data: <@&#233;!Q&#247;           > 40 E9 21 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002810400D9A0, 16 bytes long.
 Data: <&#248;W Q&#247;           > F8 57 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002810400E580, 16 bytes long.
 Data: <&#216;W Q&#247;           > D8 57 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002810400D680, 16 bytes long.
 Data: <P  Q&#247;           > 50 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002810400DE00, 16 bytes long.
 Data: <0  Q&#247;           > 30 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002810400D900, 16 bytes long.
 Data: <&#224;  Q&#247;           > E0 02 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002810400E490, 16 bytes long.
 Data: <   Q&#247;           > 10 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002810400DB80, 16 bytes long.
 Data: <p  Q&#247;           > 70 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002810400DC20, 16 bytes long.
 Data: < &#192; Q&#247;           > 18 C0 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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