Task 38688844
| Name | test_661-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND9669_0 |
| Workunit | 31630151 |
| Created | 28 Oct 2026, 16:29:42 UTC |
| Sent | 28 Oct 2026, 16:29:45 UTC |
| Report deadline | 2 Nov 2026, 16:29:45 UTC |
| Received | 28 Oct 2026, 16:57:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627872 |
| Run time | 27 min 8 sec |
| CPU time | 24 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 45,115.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 707.22 MB |
| Peak swap size | 6.95 GB |
| Peak disk usage | 4.05 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:30:53 (32436): wrapper (7.9.26016): starting
17:30:53 (32436): 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
17:30:54 (32436): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:30:54 (32436): 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\8\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\8\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
17:57:00 (32436): C:/Windows/system32/cmd.exe exited; CPU time 1466.968750
17:57:00 (32436): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 35281321 bytes.
Dumping objects ->
{3835263} normal block at 0x000001B8BC990680, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835252} normal block at 0x000001B8BC990060, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835241} normal block at 0x000001B8BC98FF10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835230} normal block at 0x000001B8BAC72BD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x000001B8BAC72B60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835188} normal block at 0x000001B8BC8EA580, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x000001B8BC991EE0, 180 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) : {3835174} normal block at 0x000001B8BAC6D880, 8 bytes long.
Data: < »¸ > 00 00 0A BB B8 01 00 00
{3834566} normal block at 0x000001B8BC992750, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000001B8BAC6D8D0, 8 bytes long.
Data: <@””¼¸ > 40 94 94 BC B8 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B8BAC5F130, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B8BAC66E90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001B8BAC73CE0, 16 bytes long.
Data: < EǺ¸ > 18 45 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B8BAC735B0, 16 bytes long.
Data: <ðDǺ¸ > F0 44 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B8BAC6EB80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001B8BAC739C0, 16 bytes long.
Data: <ÈDǺ¸ > C8 44 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B8BAC73420, 16 bytes long.
Data: < DǺ¸ > A0 44 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B8BAC73C90, 16 bytes long.
Data: <xDǺ¸ > 78 44 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B8BAC73330, 16 bytes long.
Data: <PDǺ¸ > 50 44 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B8BAC72CB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001B8BAC730B0, 16 bytes long.
Data: <¨žÆº¸ > A8 9E C6 BA B8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B8BAC6F360, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001B8BAC73D80, 16 bytes long.
Data: < žÆº¸ > 80 9E C6 BA B8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B8BAC72F20, 16 bytes long.
Data: <XžÆº¸ > 58 9E C6 BA B8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B8BAC731F0, 16 bytes long.
Data: <0žÆº¸ > 30 9E C6 BA B8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B8BAC72F70, 16 bytes long.
Data: < žÆº¸ > 08 9E C6 BA B8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B8BAC73740, 16 bytes long.
Data: <àÆº¸ > E0 9D C6 BA B8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B8BAC73560, 16 bytes long.
Data: <¸Æº¸ > B8 9D C6 BA B8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B8BAC6EE80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001B8BAC73510, 16 bytes long.
Data: < Æº¸ > 90 9D C6 BA B8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B8BAC69D90, 320 bytes long.
Data: < 5Ǻ¸ îƺ¸ > 10 35 C7 BA B8 01 00 00 80 EE C6 BA B8 01 00 00
{277} normal block at 0x000001B8BAC734C0, 16 bytes long.
Data: <0DǺ¸ > 30 44 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B8BAC73970, 16 bytes long.
Data: < DǺ¸ > 08 44 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B8BAC6E9A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001B8BAC733D0, 16 bytes long.
Data: <àCǺ¸ > E0 43 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B8BAC6F5A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001B8BAC73240, 16 bytes long.
Data: <(CǺ¸ > 28 43 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B8BAC736A0, 16 bytes long.
Data: < CǺ¸ > 00 43 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B8BAC73BF0, 16 bytes long.
Data: <ØBǺ¸ > D8 42 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B8BAC73830, 16 bytes long.
Data: <°BǺ¸ > B0 42 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B8BAC73600, 16 bytes long.
Data: < BǺ¸ > 88 42 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B8BAC72FC0, 16 bytes long.
Data: <`BǺ¸ > 60 42 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B8BAC73380, 16 bytes long.
Data: < &Ǻ¸ > 20 26 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B8BAC72620, 40 bytes long.
Data: < 3Ǻ¸ ¥Ž¼¸ > 80 33 C7 BA B8 01 00 00 80 A5 8E BC B8 01 00 00
{263} normal block at 0x000001B8BAC731A0, 16 bytes long.
Data: <@BǺ¸ > 40 42 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B8BAC73150, 16 bytes long.
Data: < BǺ¸ > 18 42 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B8BAC6F240, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001B8BAC73920, 16 bytes long.
Data: <ðAǺ¸ > F0 41 C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B8BAC741F0, 992 bytes long.
Data: < 9Ǻ¸ @òƺ¸ > 20 39 C7 BA B8 01 00 00 40 F2 C6 BA B8 01 00 00
{95} normal block at 0x000001B8BAC6E940, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001B8BAC6DCE0, 16 bytes long.
Data: < -Ǻ¸ > 20 2D C7 BA B8 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001B8BAC72D20, 40 bytes long.
Data: <àÜƺ¸ @éƺ¸ > E0 DC C6 BA B8 01 00 00 40 E9 C6 BA B8 01 00 00
{72} normal block at 0x000001B8BAC6E0A0, 16 bytes long.
Data: < êÈÒ÷ > 80 EA C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B8BAC6DA10, 16 bytes long.
Data: <@éÈÒ÷ > 40 E9 C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B8BAC6D830, 16 bytes long.
Data: <øWÅÒ÷ > F8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B8BAC6D7E0, 16 bytes long.
Data: <ØWÅÒ÷ > D8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B8BAC6D920, 16 bytes long.
Data: <P ÅÒ÷ > 50 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B8BAC6E4B0, 16 bytes long.
Data: <0 ÅÒ÷ > 30 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B8BAC6DAB0, 16 bytes long.
Data: <à ÅÒ÷ > E0 02 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B8BAC6DBF0, 16 bytes long.
Data: < ÅÒ÷ > 10 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B8BAC6D970, 16 bytes long.
Data: <p ÅÒ÷ > 70 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B8BAC6DB50, 16 bytes long.
Data: < ÀÃÒ÷ > 18 C0 C3 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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