Task 38656276
| Name | test_935-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND7201_1 |
| Workunit | 31599386 |
| Created | 24 Oct 2026, 10:29:13 UTC |
| Sent | 24 Oct 2026, 10:37:31 UTC |
| Report deadline | 29 Oct 2026, 10:37:31 UTC |
| Received | 24 Oct 2026, 11:38:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640448 |
| Run time | 26 min 43 sec |
| CPU time | 25 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 771.94 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 4.19 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:11:11 (28448): wrapper (7.9.26016): starting
13:11:11 (28448): 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
13:11:12 (28448): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:11:12 (28448): 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
13:36:58 (28448): C:/Windows/system32/cmd.exe exited; CPU time 1501.781250
13:36:58 (28448): 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: 23379787 bytes.
Dumping objects ->
{3835422} normal block at 0x00000242BFA00A70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835411} normal block at 0x00000242BFA00A00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835400} normal block at 0x00000242BFA00990, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835389} normal block at 0x00000242BFA00920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835378} normal block at 0x00000242BFA00D80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835347} normal block at 0x00000242BFAFB9E0, 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) : {3835334} normal block at 0x00000242BDE4F570, 8 bytes long.
Data: < Þ½B > 00 00 DE BD 42 02 00 00
{3833961} normal block at 0x00000242BDE4EFD0, 8 bytes long.
Data: < ;µ¿B > 90 3B B5 BF 42 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000242BDE50AA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000242BDE46370, 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 0x00000242BDE54F10, 16 bytes long.
Data: <h_å½B > 68 5F E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000242BDE55500, 16 bytes long.
Data: <@_å½B > 40 5F E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000242BDE500D0, 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 0x00000242BDE54880, 16 bytes long.
Data: < _å½B > 18 5F E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000242BDE54B50, 16 bytes long.
Data: <ð^å½B > F0 5E E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000242BDE55230, 16 bytes long.
Data: <È^å½B > C8 5E E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000242BDE553C0, 16 bytes long.
Data: < ^å½B > A0 5E E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000242BDE43BE0, 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 0x00000242BDE54D80, 16 bytes long.
Data: < çä½B > 98 E7 E4 BD 42 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000242BDE4FEF0, 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 0x00000242BDE551E0, 16 bytes long.
Data: <pçä½B > 70 E7 E4 BD 42 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000242BDE55370, 16 bytes long.
Data: <Hçä½B > 48 E7 E4 BD 42 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000242BDE554B0, 16 bytes long.
Data: < çä½B > 20 E7 E4 BD 42 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000242BDE54B00, 16 bytes long.
Data: <øæä½B > F8 E6 E4 BD 42 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000242BDE54BF0, 16 bytes long.
Data: <Ðæä½B > D0 E6 E4 BD 42 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000242BDE54A60, 16 bytes long.
Data: <¨æä½B > A8 E6 E4 BD 42 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000242BDE50730, 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 0x00000242BDE54EC0, 16 bytes long.
Data: < æä½B > 80 E6 E4 BD 42 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000242BDE4E680, 320 bytes long.
Data: <ÀNå½B 0 å½B > C0 4E E5 BD 42 02 00 00 30 07 E5 BD 42 02 00 00
{276} normal block at 0x00000242BDE54C90, 16 bytes long.
Data: < ^å½B > 80 5E E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000242BDE54E70, 16 bytes long.
Data: <X^å½B > 58 5E E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000242BDE50070, 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 0x00000242BDE548D0, 16 bytes long.
Data: <0^å½B > 30 5E E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000242BDE50310, 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 0x00000242BDE55320, 16 bytes long.
Data: <x]å½B > 78 5D E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000242BDE54E20, 16 bytes long.
Data: <P]å½B > 50 5D E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000242BDE54A10, 16 bytes long.
Data: <(]å½B > 28 5D E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000242BDE55460, 16 bytes long.
Data: < ]å½B > 00 5D E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000242BDE550A0, 16 bytes long.
Data: <Ø\å½B > D8 5C E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000242BDE55190, 16 bytes long.
Data: <°\å½B > B0 5C E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000242BDE549C0, 16 bytes long.
Data: < æã½B > 90 E6 E3 BD 42 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000242BDE3E690, 40 bytes long.
Data: <ÀIå½B ๯¿B > C0 49 E5 BD 42 02 00 00 E0 B9 AF BF 42 02 00 00
{262} normal block at 0x00000242BDE54C40, 16 bytes long.
Data: < \å½B > 90 5C E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000242BDE55640, 16 bytes long.
Data: <h\å½B > 68 5C E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000242BDE505B0, 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 0x00000242BDE54970, 16 bytes long.
Data: <@\å½B > 40 5C E5 BD 42 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000242BDE55C40, 992 bytes long.
Data: <pIå½B ° å½B > 70 49 E5 BD 42 02 00 00 B0 05 E5 BD 42 02 00 00
{94} normal block at 0x00000242BDE50430, 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 0x00000242BDE4EC60, 16 bytes long.
Data: <PÞã½B > 50 DE E3 BD 42 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000242BDE3DE50, 40 bytes long.
Data: <`ìä½B 0 å½B > 60 EC E4 BD 42 02 00 00 30 04 E5 BD 42 02 00 00
{71} normal block at 0x00000242BDE4F250, 16 bytes long.
Data: < êñ"÷ > 80 EA F1 22 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000242BDE4F610, 16 bytes long.
Data: <@éñ"÷ > 40 E9 F1 22 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000242BDE4F3E0, 16 bytes long.
Data: <øWî"÷ > F8 57 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000242BDE4EC10, 16 bytes long.
Data: <ØWî"÷ > D8 57 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000242BDE4F7F0, 16 bytes long.
Data: <P î"÷ > 50 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000242BDE4EE90, 16 bytes long.
Data: <0 î"÷ > 30 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000242BDE4E990, 16 bytes long.
Data: <à î"÷ > E0 02 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000242BDE4F200, 16 bytes long.
Data: < î"÷ > 10 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000242BDE4F750, 16 bytes long.
Data: <p î"÷ > 70 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000242BDE4F160, 16 bytes long.
Data: < Àì"÷ > 18 C0 EC 22 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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