Task 38688738
| Name | test_615-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3410_0 |
| Workunit | 31630062 |
| Created | 28 Oct 2026, 15:54:01 UTC |
| Sent | 28 Oct 2026, 15:54:06 UTC |
| Report deadline | 2 Nov 2026, 15:54:06 UTC |
| Received | 28 Oct 2026, 19:09:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653795 |
| Run time | 1 hours 1 min 8 sec |
| CPU time | 57 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,071.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 653.62 MB |
| Peak swap size | 3.76 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:08:11 (12008): wrapper (7.9.26016): starting
13:08:11 (12008): 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
13:08:12 (12008): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:08:12 (12008): 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
14:08:51 (12008): C:/Windows/system32/cmd.exe exited; CPU time 3473.765625
14:08:51 (12008): 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: 43786835 bytes.
Dumping objects ->
{3835176} normal block at 0x00000161C8B856D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x00000161C8B86460, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x00000161C8B85F20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835143} normal block at 0x00000161C8B85820, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835132} normal block at 0x00000161C8B85E40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835101} normal block at 0x00000161CA67BBC0, 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) : {3835088} normal block at 0x00000161C8B56E00, 8 bytes long.
Data: < ¯Èa > 00 00 AF C8 61 01 00 00
{3833945} normal block at 0x00000161C8B57760, 8 bytes long.
Data: <PpmÊa > 50 70 6D CA 61 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000161C8B61190, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000161C8B45A40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000161C8B62540, 16 bytes long.
Data: < 5¶Èa > 08 35 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000161C8B62C20, 16 bytes long.
Data: <à4¶Èa > E0 34 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000161C8B5D950, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000161C8B62450, 16 bytes long.
Data: <¸4¶Èa > B8 34 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000161C8B624F0, 16 bytes long.
Data: < 4¶Èa > 90 34 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000161C8B62310, 16 bytes long.
Data: <h4¶Èa > 68 34 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000161C8B62CC0, 16 bytes long.
Data: <@4¶Èa > 40 34 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000161C8B5BD60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000161C8B62BD0, 16 bytes long.
Data: <X²´Èa > 58 B2 B4 C8 61 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000161C8B5D050, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000161C8B62E50, 16 bytes long.
Data: <0²´Èa > 30 B2 B4 C8 61 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000161C8B62270, 16 bytes long.
Data: < ²´Èa > 08 B2 B4 C8 61 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000161C8B62EF0, 16 bytes long.
Data: <à±´Èa > E0 B1 B4 C8 61 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000161C8B62950, 16 bytes long.
Data: <¸±´Èa > B8 B1 B4 C8 61 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000161C8B62A90, 16 bytes long.
Data: < ±´Èa > 90 B1 B4 C8 61 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000161C8B63080, 16 bytes long.
Data: <h±´Èa > 68 B1 B4 C8 61 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000161C8B5D8F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000161C8B622C0, 16 bytes long.
Data: <@±´Èa > 40 B1 B4 C8 61 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000161C8B4B140, 320 bytes long.
Data: <À"¶Èa ðصÈa > C0 22 B6 C8 61 01 00 00 F0 D8 B5 C8 61 01 00 00
{268} normal block at 0x00000161C8B63030, 16 bytes long.
Data: < 4¶Èa > 20 34 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000161C8B62A40, 16 bytes long.
Data: <ø3¶Èa > F8 33 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000161C8B5D7D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000161C8B62220, 16 bytes long.
Data: <Ð3¶Èa > D0 33 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000161C8B5D770, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000161C8B624A0, 16 bytes long.
Data: < 3¶Èa > 18 33 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000161C8B629A0, 16 bytes long.
Data: <ð2¶Èa > F0 32 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000161C8B62400, 16 bytes long.
Data: <È2¶Èa > C8 32 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000161C8B62680, 16 bytes long.
Data: < 2¶Èa > A0 32 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000161C8B62AE0, 16 bytes long.
Data: <x2¶Èa > 78 32 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000161C8B62C70, 16 bytes long.
Data: <P2¶Èa > 50 32 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000161C8B62770, 16 bytes long.
Data: <0»µÈa > 30 BB B5 C8 61 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000161C8B5BB30, 40 bytes long.
Data: <p'¶Èa À»gÊa > 70 27 B6 C8 61 01 00 00 C0 BB 67 CA 61 01 00 00
{254} normal block at 0x00000161C8B623B0, 16 bytes long.
Data: <02¶Èa > 30 32 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000161C8B62B80, 16 bytes long.
Data: < 2¶Èa > 08 32 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000161C8B5CE70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000161C8B62360, 16 bytes long.
Data: <à1¶Èa > E0 31 B6 C8 61 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000161C8B631E0, 992 bytes long.
Data: <`#¶Èa pεÈa > 60 23 B6 C8 61 01 00 00 70 CE B5 C8 61 01 00 00
{86} normal block at 0x00000161C8B5D5F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000161C8B57800, 16 bytes long.
Data: < ¼µÈa > 80 BC B5 C8 61 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000161C8B5BC80, 40 bytes long.
Data: < xµÈa ðÕµÈa > 00 78 B5 C8 61 01 00 00 F0 D5 B5 C8 61 01 00 00
{63} normal block at 0x00000161C8B56BD0, 16 bytes long.
Data: < ê Uö > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000161C8B56B30, 16 bytes long.
Data: <@é Uö > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000161C8B57300, 16 bytes long.
Data: <øWýTö > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000161C8B56AE0, 16 bytes long.
Data: <ØWýTö > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000161C8B57210, 16 bytes long.
Data: <P ýTö > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000161C8B56A90, 16 bytes long.
Data: <0 ýTö > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000161C8B576C0, 16 bytes long.
Data: <à ýTö > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000161C8B57030, 16 bytes long.
Data: < ýTö > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000161C8B571C0, 16 bytes long.
Data: <p ýTö > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000161C8B57940, 16 bytes long.
Data: < ÀûTö > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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