Task 38667192
| Name | test_338-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND4968_1 |
| Workunit | 31609206 |
| Created | 25 Oct 2026, 6:46:49 UTC |
| Sent | 25 Oct 2026, 6:50:08 UTC |
| Report deadline | 30 Oct 2026, 6:50:08 UTC |
| Received | 25 Oct 2026, 10:15:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 634205 |
| Run time | 1 hours 10 min 36 sec |
| CPU time | 1 hours 8 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 764.93 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
20:05:23 (36128): wrapper (7.9.26016): starting
20:05:23 (36128): 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
20:05:24 (36128): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:05:24 (36128): 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\3\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\3\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
21:14:34 (36128): C:/Windows/system32/cmd.exe exited; CPU time 4121.109375
21:14:34 (36128): 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: 87392489 bytes.
Dumping objects ->
{3835521} normal block at 0x0000018057A5BB80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835510} normal block at 0x0000018057A5AFB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835499} normal block at 0x0000018057A5B8E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835488} normal block at 0x0000018057A5BAA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835477} normal block at 0x0000018057A5ADF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835446} normal block at 0x000001805976BA00, 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) : {3835433} normal block at 0x0000018057A31680, 8 bytes long.
Data: < ŸW > 00 00 9F 57 80 01 00 00
{3833971} normal block at 0x0000018057A31130, 8 bytes long.
Data: < Ö¥W > A0 D6 A5 57 80 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000018057A21690, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000018057A20250, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000018057A38460, 16 bytes long.
Data: <¸‹£W > B8 8B A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000018057A37DD0, 16 bytes long.
Data: < ‹£W > 90 8B A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000018057A30010, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000018057A38690, 16 bytes long.
Data: <h‹£W > 68 8B A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018057A381E0, 16 bytes long.
Data: <@‹£W > 40 8B A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000018057A37C90, 16 bytes long.
Data: < ‹£W > 18 8B A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018057A38820, 16 bytes long.
Data: <ðŠ£W > F0 8A A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018057A2ECA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000018057A37C40, 16 bytes long.
Data: <x¹¡W > 78 B9 A1 57 80 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018057A2FF50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x0000018057A38370, 16 bytes long.
Data: <P¹¡W > 50 B9 A1 57 80 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018057A38320, 16 bytes long.
Data: <(¹¡W > 28 B9 A1 57 80 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000018057A385F0, 16 bytes long.
Data: < ¹¡W > 00 B9 A1 57 80 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018057A37B50, 16 bytes long.
Data: <ظ¡W > D8 B8 A1 57 80 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018057A38050, 16 bytes long.
Data: <°¸¡W > B0 B8 A1 57 80 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018057A37A60, 16 bytes long.
Data: < ¸¡W > 88 B8 A1 57 80 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018057A30850, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000018057A37A10, 16 bytes long.
Data: <`¸¡W > 60 B8 A1 57 80 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018057A1B860, 320 bytes long.
Data: < z£W P £W > 10 7A A3 57 80 01 00 00 50 08 A3 57 80 01 00 00
{281} normal block at 0x0000018057A38730, 16 bytes long.
Data: <Њ£W > D0 8A A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018057A384B0, 16 bytes long.
Data: <¨Š£W > A8 8A A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018057A30190, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x0000018057A385A0, 16 bytes long.
Data: < Š£W > 80 8A A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018057A30550, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x0000018057A379C0, 16 bytes long.
Data: <ȉ£W > C8 89 A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018057A37BF0, 16 bytes long.
Data: < ‰£W > A0 89 A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018057A37BA0, 16 bytes long.
Data: <x‰£W > 78 89 A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000018057A38550, 16 bytes long.
Data: <P‰£W > 50 89 A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018057A38000, 16 bytes long.
Data: <(‰£W > 28 89 A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018057A378D0, 16 bytes long.
Data: < ‰£W > 00 89 A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018057A37B00, 16 bytes long.
Data: <°ï¢W > B0 EF A2 57 80 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018057A2EFB0, 40 bytes long.
Data: < {£W ºvY > 00 7B A3 57 80 01 00 00 00 BA 76 59 80 01 00 00
{267} normal block at 0x0000018057A37CE0, 16 bytes long.
Data: <à £W > E0 88 A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018057A38190, 16 bytes long.
Data: <¸ £W > B8 88 A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000018057A30910, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x0000018057A37FB0, 16 bytes long.
Data: < £W > 90 88 A3 57 80 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018057A38890, 992 bytes long.
Data: <° £W £W > B0 7F A3 57 80 01 00 00 10 09 A3 57 80 01 00 00
{99} normal block at 0x0000018057A308B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000018057A30FA0, 16 bytes long.
Data: <Pò¢W > 50 F2 A2 57 80 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000018057A2F250, 40 bytes long.
Data: <  £W ° £W > A0 0F A3 57 80 01 00 00 B0 08 A3 57 80 01 00 00
{76} normal block at 0x0000018057A31220, 16 bytes long.
Data: < ês·÷ > 80 EA 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000018057A316D0, 16 bytes long.
Data: <@és·÷ > 40 E9 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000018057A31090, 16 bytes long.
Data: <øWp·÷ > F8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000018057A31450, 16 bytes long.
Data: <ØWp·÷ > D8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000018057A31DB0, 16 bytes long.
Data: <P p·÷ > 50 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000018057A314A0, 16 bytes long.
Data: <0 p·÷ > 30 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018057A31810, 16 bytes long.
Data: <à p·÷ > E0 02 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018057A315E0, 16 bytes long.
Data: < p·÷ > 10 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018057A31860, 16 bytes long.
Data: <p p·÷ > 70 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018057A310E0, 16 bytes long.
Data: < Àn·÷ > 18 C0 6E B7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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