Task 38654445

Name test_523-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND5395_2
Workunit 31598040
Created 24 Oct 2026, 7:18:59 UTC
Sent 24 Oct 2026, 7:19:51 UTC
Report deadline 29 Oct 2026, 7:19:51 UTC
Received 24 Oct 2026, 8:41:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653456
Run time 41 min 3 sec
CPU time 37 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,251.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 813.14 MB
Peak swap size 9.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:02:10 (16236): wrapper (7.9.26016): starting
01:02:10 (16236): 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
01:02:11 (16236): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:02:11 (16236): 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\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:\ProgramData\BOINC\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
01:41:23 (16236): C:/Windows/system32/cmd.exe exited; CPU time 2244.734375
01:41:23 (16236): 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: 64487361 bytes.
Dumping objects ->
{3835516} normal block at 0x000002324927A470, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x0000023249279E50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x000002324927A780, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x00000232474C5A70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x00000232474C5A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x0000023249287590, 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) : {3835428} normal block at 0x00000232474BE230, 8 bytes long.
 Data: <  GG2   > 00 00 47 47 32 02 00 00 
{3833971} normal block at 0x00000232474BE820, 8 bytes long.
 Data: <&#176;Q.I2   > B0 51 2E 49 32 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000232474BFC30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000232474B7B10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000232474C69D0, 16 bytes long.
 Data: <&#248;xLG2           > F8 78 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000232474C7330, 16 bytes long.
 Data: <&#208;xLG2           > D0 78 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000232474C14C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000232474C67A0, 16 bytes long.
 Data: <&#168;xLG2           > A8 78 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000232474C7380, 16 bytes long.
 Data: < xLG2           > 80 78 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000232474C6980, 16 bytes long.
 Data: <XxLG2           > 58 78 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000232474C6750, 16 bytes long.
 Data: <0xLG2           > 30 78 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000232474C5CA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000232474C66B0, 16 bytes long.
 Data: <(&#254;JG2           > 28 FE 4A 47 32 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000232474C1100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000232474C6700, 16 bytes long.
 Data: < &#254;JG2           > 00 FE 4A 47 32 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000232474C6610, 16 bytes long.
 Data: <&#216;&#253;JG2           > D8 FD 4A 47 32 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000232474C6CF0, 16 bytes long.
 Data: <&#176;&#253;JG2           > B0 FD 4A 47 32 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000232474C6840, 16 bytes long.
 Data: < &#253;JG2           > 88 FD 4A 47 32 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000232474C72E0, 16 bytes long.
 Data: <`&#253;JG2           > 60 FD 4A 47 32 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000232474C7470, 16 bytes long.
 Data: <8&#253;JG2           > 38 FD 4A 47 32 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000232474C1340, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000232474C71A0, 16 bytes long.
 Data: < &#253;JG2           > 10 FD 4A 47 32 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000232474AFD10, 320 bytes long.
 Data: <&#160;qLG2   @ LG2   > A0 71 4C 47 32 02 00 00 40 13 4C 47 32 02 00 00 
{281} normal block at 0x00000232474C7100, 16 bytes long.
 Data: < xLG2           > 10 78 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000232474C7560, 16 bytes long.
 Data: <&#232;wLG2           > E8 77 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000232474C0680, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000232474C68E0, 16 bytes long.
 Data: <&#192;wLG2           > C0 77 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000232474C0E60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000232474C7150, 16 bytes long.
 Data: < wLG2           > 08 77 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000232474C6660, 16 bytes long.
 Data: <&#224;vLG2           > E0 76 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000232474C7510, 16 bytes long.
 Data: <&#184;vLG2           > B8 76 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000232474C70B0, 16 bytes long.
 Data: < vLG2           > 90 76 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000232474C7060, 16 bytes long.
 Data: <hvLG2           > 68 76 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000232474C7010, 16 bytes long.
 Data: <@vLG2           > 40 76 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000232474C6FC0, 16 bytes long.
 Data: <&#224;ZLG2           > E0 5A 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000232474C5AE0, 40 bytes long.
 Data: <&#192;oLG2    u(I2   > C0 6F 4C 47 32 02 00 00 90 75 28 49 32 02 00 00 
{267} normal block at 0x00000232474C6B60, 16 bytes long.
 Data: < vLG2           > 20 76 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000232474C6F70, 16 bytes long.
 Data: <&#248;uLG2           > F8 75 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000232474C1220, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000232474C6ED0, 16 bytes long.
 Data: <&#208;uLG2           > D0 75 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000232474C75D0, 992 bytes long.
 Data: <&#208;nLG2     LG2   > D0 6E 4C 47 32 02 00 00 20 12 4C 47 32 02 00 00 
{99} normal block at 0x00000232474C0CE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000232474BEEB0, 16 bytes long.
 Data: <0\LG2           > 30 5C 4C 47 32 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000232474C5C30, 40 bytes long.
 Data: <&#176;&#238;KG2   &#224; LG2   > B0 EE 4B 47 32 02 00 00 E0 0C 4C 47 32 02 00 00 
{76} normal block at 0x00000232474BE9B0, 16 bytes long.
 Data: < &#234; "&#247;           > 80 EA 0F 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000232474BE0A0, 16 bytes long.
 Data: <@&#233; "&#247;           > 40 E9 0F 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000232474BE370, 16 bytes long.
 Data: <&#248;W "&#247;           > F8 57 0C 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000232474BE6E0, 16 bytes long.
 Data: <&#216;W "&#247;           > D8 57 0C 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000232474BEE60, 16 bytes long.
 Data: <P  "&#247;           > 50 04 0C 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000232474BEE10, 16 bytes long.
 Data: <0  "&#247;           > 30 04 0C 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000232474BE7D0, 16 bytes long.
 Data: <&#224;  "&#247;           > E0 02 0C 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000232474BE960, 16 bytes long.
 Data: <   "&#247;           > 10 04 0C 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000232474BEDC0, 16 bytes long.
 Data: <p  "&#247;           > 70 04 0C 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000232474BEAF0, 16 bytes long.
 Data: < &#192; "&#247;           > 18 C0 0A 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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