Task 38688204
| Name | test_107-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND5431_2 |
| Workunit | 31629512 |
| Created | 28 Oct 2026, 12:20:52 UTC |
| Sent | 28 Oct 2026, 12:20:56 UTC |
| Report deadline | 2 Nov 2026, 12:20:56 UTC |
| Received | 28 Oct 2026, 13:04:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 583368 |
| Run time | 43 min 2 sec |
| CPU time | 41 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.82 MB |
| Peak swap size | 9.87 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:22:36 (9252): wrapper (7.9.26016): starting
13:22:36 (9252): 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
13:22:38 (9252): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:22:38 (9252): 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 'D:\ProgramData\BOINC\slots\12\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 'D:\ProgramData\BOINC\slots\12\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
14:04:23 (9252): C:/Windows/system32/cmd.exe exited; CPU time 2483.796875
14:04:23 (9252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 46098957 bytes.
Dumping objects ->
{3835207} normal block at 0x0000024107DE4620, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x0000024107DE4D20, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x0000024107DE4770, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835174} normal block at 0x0000024107DE4B60, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x0000024107DE4A10, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835132} normal block at 0x0000024109A78920, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835121} normal block at 0x0000024109A8E550, 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) : {3835118} normal block at 0x0000024107DDE8F0, 8 bytes long.
Data: < Ù A > 00 00 D9 07 41 02 00 00
{3834522} normal block at 0x0000024109A8E3F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x0000024107DDEC10, 8 bytes long.
Data: <°ÖÜ A > B0 D6 DC 07 41 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000024107DE02D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024107DD5A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x0000024107DE58D0, 16 bytes long.
Data: < aÞ A > 18 61 DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024107DE51F0, 16 bytes long.
Data: <ð`Þ A > F0 60 DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024107DDFE80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x0000024107DE5D30, 16 bytes long.
Data: <È`Þ A > C8 60 DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024107DE54C0, 16 bytes long.
Data: < `Þ A > A0 60 DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024107DE5970, 16 bytes long.
Data: <x`Þ A > 78 60 DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024107DE5010, 16 bytes long.
Data: <P`Þ A > 50 60 DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024107DE4C40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x0000024107DE5600, 16 bytes long.
Data: <ÈýÜ A > C8 FD DC 07 41 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024107DDF280, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x0000024107DE5060, 16 bytes long.
Data: < ýÜ A > A0 FD DC 07 41 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024107DE5240, 16 bytes long.
Data: <xýÜ A > 78 FD DC 07 41 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024107DE4ED0, 16 bytes long.
Data: <PýÜ A > 50 FD DC 07 41 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024107DE5830, 16 bytes long.
Data: <(ýÜ A > 28 FD DC 07 41 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024107DE51A0, 16 bytes long.
Data: < ýÜ A > 00 FD DC 07 41 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024107DE55B0, 16 bytes long.
Data: <ØüÜ A > D8 FC DC 07 41 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024107DDF1C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000024107DE4FC0, 16 bytes long.
Data: <°üÜ A > B0 FC DC 07 41 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024107DCFCB0, 320 bytes long.
Data: <ÀOÞ A ÀñÝ A > C0 4F DE 07 41 02 00 00 C0 F1 DD 07 41 02 00 00
{269} normal block at 0x0000024107DE4E80, 16 bytes long.
Data: <0`Þ A > 30 60 DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024107DE4F20, 16 bytes long.
Data: < `Þ A > 08 60 DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024107DDFE20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x0000024107DE56A0, 16 bytes long.
Data: <à_Þ A > E0 5F DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024107DDFEE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x0000024107DE5420, 16 bytes long.
Data: <(_Þ A > 28 5F DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024107DE5BF0, 16 bytes long.
Data: < _Þ A > 00 5F DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024107DE5880, 16 bytes long.
Data: <Ø^Þ A > D8 5E DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024107DE5BA0, 16 bytes long.
Data: <°^Þ A > B0 5E DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024107DE52E0, 16 bytes long.
Data: < ^Þ A > 88 5E DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024107DE5C90, 16 bytes long.
Data: <`^Þ A > 60 5E DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024107DE5A60, 16 bytes long.
Data: <ÀHÞ A > C0 48 DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024107DE48C0, 40 bytes long.
Data: <`ZÞ A ‰§ A > 60 5A DE 07 41 02 00 00 20 89 A7 09 41 02 00 00
{255} normal block at 0x0000024107DE5CE0, 16 bytes long.
Data: <@^Þ A > 40 5E DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000024107DE5790, 16 bytes long.
Data: < ^Þ A > 18 5E DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000024107DDF520, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000024107DE5B50, 16 bytes long.
Data: <ð]Þ A > F0 5D DE 07 41 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000024107DE5DF0, 992 bytes long.
Data: <P[Þ A õÝ A > 50 5B DE 07 41 02 00 00 20 F5 DD 07 41 02 00 00
{87} normal block at 0x0000024107DDFDC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000024107DDED00, 16 bytes long.
Data: < ÆÜ A > 20 C6 DC 07 41 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000024107DCC620, 40 bytes long.
Data: < íÝ A ÀýÝ A > 00 ED DD 07 41 02 00 00 C0 FD DD 07 41 02 00 00
{64} normal block at 0x0000024107DDECB0, 16 bytes long.
Data: < ên9÷ > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024107DDE530, 16 bytes long.
Data: <@én9÷ > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024107DDEDA0, 16 bytes long.
Data: <øWk9÷ > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024107DDE1C0, 16 bytes long.
Data: <ØWk9÷ > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024107DDED50, 16 bytes long.
Data: <P k9÷ > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024107DDE850, 16 bytes long.
Data: <0 k9÷ > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000024107DDE3A0, 16 bytes long.
Data: <à k9÷ > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000024107DDE300, 16 bytes long.
Data: < k9÷ > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000024107DDE940, 16 bytes long.
Data: <p k9÷ > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000024107DDE800, 16 bytes long.
Data: < Ài9÷ > 18 C0 69 39 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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