Task 38674435
| Name | test_268-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND1668_0 |
| Workunit | 31616470 |
| Created | 26 Oct 2026, 5:16:11 UTC |
| Sent | 26 Oct 2026, 5:16:17 UTC |
| Report deadline | 31 Oct 2026, 5:16:17 UTC |
| Received | 26 Oct 2026, 5:44:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 592657 |
| Run time | 27 min 18 sec |
| CPU time | 24 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,585.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.88 MB |
| Peak swap size | 10.02 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:17:47 (42400): wrapper (7.9.26016): starting
01:17:47 (42400): 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
01:17:48 (42400): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:17:48 (42400): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProtocolError('Connection aborted.', ConnectionResetError(10054, 'An existing connection was forcibly closed by the remote host', None, 10054, None))': /simple/pyaml/
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
01:43:55 (42400): C:/Windows/system32/cmd.exe exited; CPU time 1484.781250
01:43:55 (42400): 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: 46134765 bytes.
Dumping objects ->
{3835253} normal block at 0x000002E3749E4D90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x000002E3749E5A40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000002E3749E59D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835220} normal block at 0x000002E3749E4EE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x000002E3749E53B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835178} normal block at 0x000002E37493D180, 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) : {3835165} normal block at 0x000002E372BED430, 8 bytes long.
Data: < ýrã > 00 00 FD 72 E3 02 00 00
{3833995} normal block at 0x000002E372BED7A0, 8 bytes long.
Data: <@¦ tã > 40 A6 9D 74 E3 02 00 00
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x000002E372BE7A80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{314} normal block at 0x000002E372BE8FF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{313} normal block at 0x000002E372BF5C40, 16 bytes long.
Data: <hf¿rã > 68 66 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x000002E372BF5E20, 16 bytes long.
Data: <@f¿rã > 40 66 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x000002E372BEE910, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{310} normal block at 0x000002E372BF5BF0, 16 bytes long.
Data: < f¿rã > 18 66 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000002E372BF5BA0, 16 bytes long.
Data: <ðe¿rã > F0 65 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000002E372BF5B00, 16 bytes long.
Data: <Èe¿rã > C8 65 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000002E372BF60A0, 16 bytes long.
Data: < e¿rã > A0 65 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000002E372BEFBD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{305} normal block at 0x000002E372BF5920, 16 bytes long.
Data: < Ù½rã > 98 D9 BD 72 E3 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002E372BEF7B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{303} normal block at 0x000002E372BF5B50, 16 bytes long.
Data: <pÙ½rã > 70 D9 BD 72 E3 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002E372BF58D0, 16 bytes long.
Data: <HÙ½rã > 48 D9 BD 72 E3 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002E372BF5F60, 16 bytes long.
Data: < Ù½rã > 20 D9 BD 72 E3 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002E372BF5A10, 16 bytes long.
Data: <øؽrã > F8 D8 BD 72 E3 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002E372BF5D80, 16 bytes long.
Data: <Ðؽrã > D0 D8 BD 72 E3 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002E372BF5880, 16 bytes long.
Data: <¨Ø½rã > A8 D8 BD 72 E3 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002E372BEF030, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{295} normal block at 0x000002E372BF6230, 16 bytes long.
Data: < ؽrã > 80 D8 BD 72 E3 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002E372BDD880, 320 bytes long.
Data: <0b¿rã 0ð¾rã > 30 62 BF 72 E3 02 00 00 30 F0 BE 72 E3 02 00 00
{293} normal block at 0x000002E372BF57E0, 16 bytes long.
Data: < e¿rã > 80 65 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002E372BF5F10, 16 bytes long.
Data: <Xe¿rã > 58 65 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002E372BEEA90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{290} normal block at 0x000002E372BF5790, 16 bytes long.
Data: <0e¿rã > 30 65 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002E372BEF330, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{288} normal block at 0x000002E372BF5D30, 16 bytes long.
Data: <xd¿rã > 78 64 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002E372BF56F0, 16 bytes long.
Data: <Pd¿rã > 50 64 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002E372BF56A0, 16 bytes long.
Data: <(d¿rã > 28 64 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002E372BF5560, 16 bytes long.
Data: < d¿rã > 00 64 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002E372BF5830, 16 bytes long.
Data: <Øc¿rã > D8 63 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002E372BF5650, 16 bytes long.
Data: <°c¿rã > B0 63 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002E372BF6050, 16 bytes long.
Data: <`û¾rã > 60 FB BE 72 E3 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002E372BEFB60, 40 bytes long.
Data: <P`¿rã Ñ“tã > 50 60 BF 72 E3 02 00 00 80 D1 93 74 E3 02 00 00
{279} normal block at 0x000002E372BF6140, 16 bytes long.
Data: < c¿rã > 90 63 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002E372BF5970, 16 bytes long.
Data: <hc¿rã > 68 63 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002E372BEEEB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{276} normal block at 0x000002E372BF5EC0, 16 bytes long.
Data: <@c¿rã > 40 63 BF 72 E3 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002E372BF6340, 992 bytes long.
Data: <À^¿rã °î¾rã > C0 5E BF 72 E3 02 00 00 B0 EE BE 72 E3 02 00 00
{111} normal block at 0x000002E372BEEF10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{110} normal block at 0x000002E372BED200, 16 bytes long.
Data: < ú¾rã > 80 FA BE 72 E3 02 00 00 00 00 00 00 00 00 00 00
{109} normal block at 0x000002E372BEFA80, 40 bytes long.
Data: < Ò¾rã ï¾rã > 00 D2 BE 72 E3 02 00 00 10 EF BE 72 E3 02 00 00
{88} normal block at 0x000002E372BED0C0, 16 bytes long.
Data: < êÆÜö > 80 EA C6 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002E372BED160, 16 bytes long.
Data: <@éÆÜö > 40 E9 C6 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000002E372BED1B0, 16 bytes long.
Data: <øWÃÜö > F8 57 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000002E372BECBC0, 16 bytes long.
Data: <ØWÃÜö > D8 57 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002E372BED750, 16 bytes long.
Data: <P ÃÜö > 50 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000002E372BECA30, 16 bytes long.
Data: <0 ÃÜö > 30 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000002E372BEC8F0, 16 bytes long.
Data: <à ÃÜö > E0 02 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000002E372BECB20, 16 bytes long.
Data: < ÃÜö > 10 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000002E372BECF80, 16 bytes long.
Data: <p ÃÜö > 70 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000002E372BED020, 16 bytes long.
Data: < ÀÁÜö > 18 C0 C1 DC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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