Task 38673489
| Name | test_43-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND1355_0 |
| Workunit | 31615562 |
| Created | 26 Oct 2026, 2:33:34 UTC |
| Sent | 26 Oct 2026, 2:33:36 UTC |
| Report deadline | 31 Oct 2026, 2:33:36 UTC |
| Received | 26 Oct 2026, 3:40:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628942 |
| Run time | 1 hours 4 min 4 sec |
| CPU time | 53 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,879.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 687.69 MB |
| Peak swap size | 2.19 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:36:30 (9624): wrapper (7.9.26016): starting
23:36:30 (9624): 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
23:36:43 (9624): Library/usr/bin/tar.exe exited; CPU time 0.140625
23:36:43 (9624): 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\2\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\2\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
00:40:13 (9624): C:/Windows/system32/cmd.exe exited; CPU time 3190.546875
00:40:13 (9624): 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: 45137831 bytes.
Dumping objects ->
{3835273} normal block at 0x0000023B24A56FB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x0000023B24A56BC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x0000023B24A56E60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835240} normal block at 0x0000023B24A572C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x0000023B22DF14A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835198} normal block at 0x0000023B249FB780, 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) : {3835185} normal block at 0x0000023B22DEB200, 8 bytes long.
Data: < ~$; > 00 00 7E 24 3B 02 00 00
{3833957} normal block at 0x0000023B22DEAD00, 8 bytes long.
Data: <`ë•$; > 60 EB 95 24 3B 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023B22DDECC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023B22DDC0F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000023B22DF2CD0, 16 bytes long.
Data: < Eß"; > 18 45 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023B22DF30E0, 16 bytes long.
Data: <ðDß"; > F0 44 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023B22DED040, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000023B22DF3720, 16 bytes long.
Data: <ÈDß"; > C8 44 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023B22DF39A0, 16 bytes long.
Data: < Dß"; > A0 44 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023B22DF3B30, 16 bytes long.
Data: <xDß"; > 78 44 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023B22DF3360, 16 bytes long.
Data: <PDß"; > 50 44 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023B22DF12E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000023B22DF34A0, 16 bytes long.
Data: <ÈÛÝ"; > C8 DB DD 22 3B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023B22DED4C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000023B22DF3950, 16 bytes long.
Data: < ÛÝ"; > A0 DB DD 22 3B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023B22DF3310, 16 bytes long.
Data: <xÛÝ"; > 78 DB DD 22 3B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023B22DF2D70, 16 bytes long.
Data: <PÛÝ"; > 50 DB DD 22 3B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023B22DF3900, 16 bytes long.
Data: <(ÛÝ"; > 28 DB DD 22 3B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023B22DF34F0, 16 bytes long.
Data: < ÛÝ"; > 00 DB DD 22 3B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023B22DF31D0, 16 bytes long.
Data: <ØÚÝ"; > D8 DA DD 22 3B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023B22DEDB20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000023B22DF3220, 16 bytes long.
Data: <°ÚÝ"; > B0 DA DD 22 3B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023B22DDDAB0, 320 bytes long.
Data: < 2ß"; ÛÞ"; > 20 32 DF 22 3B 02 00 00 20 DB DE 22 3B 02 00 00
{274} normal block at 0x0000023B22DF3090, 16 bytes long.
Data: <0Dß"; > 30 44 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023B22DF2C80, 16 bytes long.
Data: < Dß"; > 08 44 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023B22DED8E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000023B22DF3180, 16 bytes long.
Data: <àCß"; > E0 43 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023B22DED880, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000023B22DF37C0, 16 bytes long.
Data: <(Cß"; > 28 43 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023B22DF3B80, 16 bytes long.
Data: < Cß"; > 00 43 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023B22DF3590, 16 bytes long.
Data: <ØBß"; > D8 42 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023B22DF3540, 16 bytes long.
Data: <°Bß"; > B0 42 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023B22DF2FA0, 16 bytes long.
Data: < Bß"; > 88 42 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023B22DF3270, 16 bytes long.
Data: <`Bß"; > 60 42 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023B22DF2FF0, 16 bytes long.
Data: < ß"; > 00 12 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023B22DF1200, 40 bytes long.
Data: <ð/ß"; ·Ÿ$; > F0 2F DF 22 3B 02 00 00 80 B7 9F 24 3B 02 00 00
{260} normal block at 0x0000023B22DF36D0, 16 bytes long.
Data: <@Bß"; > 40 42 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023B22DF38B0, 16 bytes long.
Data: < Bß"; > 18 42 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023B22DEDD60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000023B22DF32C0, 16 bytes long.
Data: <ðAß"; > F0 41 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023B22DF41F0, 992 bytes long.
Data: <À2ß"; `ÝÞ"; > C0 32 DF 22 3B 02 00 00 60 DD DE 22 3B 02 00 00
{92} normal block at 0x0000023B22DEDB80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000023B22DEAE40, 16 bytes long.
Data: <ð ß"; > F0 15 DF 22 3B 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000023B22DF15F0, 40 bytes long.
Data: <@®Þ"; ÛÞ"; > 40 AE DE 22 3B 02 00 00 80 DB DE 22 3B 02 00 00
{69} normal block at 0x0000023B22DEABC0, 16 bytes long.
Data: < ê³ùö > 80 EA B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023B22DEB2A0, 16 bytes long.
Data: <@é³ùö > 40 E9 B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023B22DEB520, 16 bytes long.
Data: <øW°ùö > F8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023B22DEB1B0, 16 bytes long.
Data: <ØW°ùö > D8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023B22DEB8E0, 16 bytes long.
Data: <P °ùö > 50 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023B22DEB160, 16 bytes long.
Data: <0 °ùö > 30 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023B22DEAB70, 16 bytes long.
Data: <à °ùö > E0 02 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023B22DEB110, 16 bytes long.
Data: < °ùö > 10 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023B22DEB0C0, 16 bytes long.
Data: <p °ùö > 70 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023B22DEADF0, 16 bytes long.
Data: < À®ùö > 18 C0 AE F9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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