Task 38655138
| Name | test_642-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND2072_1 |
| Workunit | 31598480 |
| Created | 24 Oct 2026, 8:28:19 UTC |
| Sent | 24 Oct 2026, 8:28:27 UTC |
| Report deadline | 29 Oct 2026, 8:28:27 UTC |
| Received | 24 Oct 2026, 11:13:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631047 |
| Run time | 2 hours 26 min 16 sec |
| CPU time | 1 hours 28 min 16 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,933.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 750.39 MB |
| Peak swap size | 9.22 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:47:10 (7812): wrapper (7.9.26016): starting
17:47:10 (7812): 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
17:47:17 (7812): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:47:17 (7812): 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
20:10:36 (7812): C:/Windows/system32/cmd.exe exited; CPU time 5296.156250
20:10:36 (7812): 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: 109144997 bytes.
Dumping objects ->
{3835555} normal block at 0x000001DAD1AA4960, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835544} normal block at 0x000001DAD1AA48F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835533} normal block at 0x000001DAD1AA4810, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835522} normal block at 0x000001DAD1AA47A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835511} normal block at 0x000001DAD1AA4DC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835480} normal block at 0x000001DAD3B8AFB0, 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) : {3835467} normal block at 0x000001DAD1A9F440, 8 bytes long.
Data: < ¤ÑÚ > 00 00 A4 D1 DA 01 00 00
{3834045} normal block at 0x000001DAD1A9F0D0, 8 bytes long.
Data: <°F¾ÓÚ > B0 46 BE D3 DA 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001DAD1AA1640, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DAD1A96810, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001DAD1AA6260, 16 bytes long.
Data: < fªÑÚ > 98 66 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DAD1AA53B0, 16 bytes long.
Data: <pfªÑÚ > 70 66 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DAD1A9FB70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001DAD1AA5CC0, 16 bytes long.
Data: <HfªÑÚ > 48 66 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DAD1AA5E00, 16 bytes long.
Data: < fªÑÚ > 20 66 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DAD1AA5C70, 16 bytes long.
Data: < eªÑÚ > F8 65 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DAD1AA5590, 16 bytes long.
Data: <ÐeªÑÚ > D0 65 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DAD1AA4B90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001DAD1AA5950, 16 bytes long.
Data: < ©ÑÚ > F8 90 A9 D1 DA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DAD1AA0470, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001DAD1AA5720, 16 bytes long.
Data: <Ð ©ÑÚ > D0 90 A9 D1 DA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DAD1AA56D0, 16 bytes long.
Data: <¨ ©ÑÚ > A8 90 A9 D1 DA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DAD1AA5B80, 16 bytes long.
Data: < ©ÑÚ > 80 90 A9 D1 DA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DAD1AA5680, 16 bytes long.
Data: <X ©ÑÚ > 58 90 A9 D1 DA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DAD1AA5E50, 16 bytes long.
Data: <0 ©ÑÚ > 30 90 A9 D1 DA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DAD1AA6030, 16 bytes long.
Data: < ©ÑÚ > 08 90 A9 D1 DA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DAD1A9F8D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001DAD1AA6080, 16 bytes long.
Data: < ©ÑÚ > E0 8F A9 D1 DA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DAD1A98FE0, 320 bytes long.
Data: < `ªÑÚ Ð ©ÑÚ > 80 60 AA D1 DA 01 00 00 D0 F8 A9 D1 DA 01 00 00
{273} normal block at 0x000001DAD1AA5DB0, 16 bytes long.
Data: <°eªÑÚ > B0 65 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DAD1AA5D60, 16 bytes long.
Data: < eªÑÚ > 88 65 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DAD1AA03B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001DAD1AA5EF0, 16 bytes long.
Data: <`eªÑÚ > 60 65 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DAD1A9F9F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001DAD1AA5F40, 16 bytes long.
Data: <¨dªÑÚ > A8 64 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DAD1AA5D10, 16 bytes long.
Data: < dªÑÚ > 80 64 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DAD1AA5540, 16 bytes long.
Data: <XdªÑÚ > 58 64 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DAD1AA5C20, 16 bytes long.
Data: <0dªÑÚ > 30 64 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DAD1AA5BD0, 16 bytes long.
Data: < dªÑÚ > 08 64 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DAD1AA6170, 16 bytes long.
Data: < cªÑÚ > E0 63 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DAD1AA5AE0, 16 bytes long.
Data: < NªÑÚ > A0 4E AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DAD1AA4EA0, 40 bytes long.
Data: < ZªÑÚ °¯¸ÓÚ > E0 5A AA D1 DA 01 00 00 B0 AF B8 D3 DA 01 00 00
{259} normal block at 0x000001DAD1AA54A0, 16 bytes long.
Data: <ÀcªÑÚ > C0 63 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DAD1AA5630, 16 bytes long.
Data: < cªÑÚ > 98 63 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001DAD1A9FE10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001DAD1AA5810, 16 bytes long.
Data: <pcªÑÚ > 70 63 AA D1 DA 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001DAD1AA6370, 992 bytes long.
Data: < XªÑÚ ©ÑÚ > 10 58 AA D1 DA 01 00 00 10 FE A9 D1 DA 01 00 00
{91} normal block at 0x000001DAD1A9FB10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001DAD1A9EF90, 16 bytes long.
Data: < ¨ÑÚ > 80 C2 A8 D1 DA 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001DAD1A8C280, 40 bytes long.
Data: < ©ÑÚ ©ÑÚ > 90 EF A9 D1 DA 01 00 00 10 FB A9 D1 DA 01 00 00
{66} normal block at 0x000001DAD1A9E8B0, 16 bytes long.
Data: < > 80 EA 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DAD1A9EDB0, 16 bytes long.
Data: <@ > 40 E9 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DAD1A9F670, 16 bytes long.
Data: < W > F8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DAD1A9E9F0, 16 bytes long.
Data: <ØW > D8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DAD1A9F620, 16 bytes long.
Data: <P > 50 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DAD1A9ED60, 16 bytes long.
Data: <0 > 30 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DAD1A9ED10, 16 bytes long.
Data: < > E0 02 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001DAD1A9ECC0, 16 bytes long.
Data: < > 10 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001DAD1A9EC70, 16 bytes long.
Data: <p > 70 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001DAD1A9EF40, 16 bytes long.
Data: < À > 18 C0 FC FA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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