Task 38681608
| Name | test_588-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9358_0 |
| Workunit | 31623268 |
| Created | 27 Oct 2026, 4:38:27 UTC |
| Sent | 27 Oct 2026, 4:38:37 UTC |
| Report deadline | 1 Nov 2026, 4:38:37 UTC |
| Received | 27 Oct 2026, 5:25:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 550864 |
| Run time | 45 min 33 sec |
| CPU time | 43 min 15 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,030.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 676.18 MB |
| Peak swap size | 3.69 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:40:07 (4264): wrapper (7.9.26016): starting
00:40:07 (4264): 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
00:40:22 (4264): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:40:22 (4264): 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 'P:\BOINC\data\slots\1\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 'P:\BOINC\data\slots\1\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
01:25:14 (4264): C:/Windows/system32/cmd.exe exited; CPU time 2595.171875
01:25:14 (4264): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 35629181 bytes.
Dumping objects ->
{3835191} normal block at 0x000001EBE17A6A40, 48 bytes long.
Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835180} normal block at 0x000001EBE32B7F50, 32 bytes long.
Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835169} normal block at 0x000001EBE32B7C50, 32 bytes long.
Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835158} normal block at 0x000001EBE32B7890, 32 bytes long.
Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835147} normal block at 0x000001EBE32B7DD0, 32 bytes long.
Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C
{3835116} normal block at 0x000001EBE17A7300, 48 bytes long.
Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x000001EBE17826C0, 8 bytes long.
Data: < ãë > 00 00 10 E3 EB 01 00 00
{3833953} normal block at 0x000001EBE1782300, 8 bytes long.
Data: <àÝ ãë > E0 DD 0F E3 EB 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001EBE1781310, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EBE176ABB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001EBE1784580, 16 bytes long.
Data: <X=xáë > 58 3D 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EBE1784120, 16 bytes long.
Data: <0=xáë > 30 3D 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EBE177D280, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001EBE17843A0, 16 bytes long.
Data: < =xáë > 08 3D 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EBE1784300, 16 bytes long.
Data: <à<xáë > E0 3C 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EBE1784530, 16 bytes long.
Data: <¸<xáë > B8 3C 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EBE1783F40, 16 bytes long.
Data: < <xáë > 90 3C 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EBE177BB00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001EBE1784350, 16 bytes long.
Data: <ÈÎwáë > C8 CE 77 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EBE177E060, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001EBE17842B0, 16 bytes long.
Data: < Îwáë > A0 CE 77 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EBE17844E0, 16 bytes long.
Data: <xÎwáë > 78 CE 77 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EBE17840D0, 16 bytes long.
Data: <PÎwáë > 50 CE 77 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EBE1784210, 16 bytes long.
Data: <(Îwáë > 28 CE 77 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EBE17841C0, 16 bytes long.
Data: < Îwáë > 00 CE 77 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EBE1783EA0, 16 bytes long.
Data: <ØÍwáë > D8 CD 77 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EBE177D7C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001EBE17843F0, 16 bytes long.
Data: <°Íwáë > B0 CD 77 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EBE177CDB0, 320 bytes long.
Data: <ðCxáë À×wáë > F0 43 78 E1 EB 01 00 00 C0 D7 77 E1 EB 01 00 00
{272} normal block at 0x000001EBE1784260, 16 bytes long.
Data: <p<xáë > 70 3C 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EBE1784080, 16 bytes long.
Data: <H<xáë > 48 3C 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EBE177DEE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001EBE1784170, 16 bytes long.
Data: < <xáë > 20 3C 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EBE177D880, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001EBE17845D0, 16 bytes long.
Data: <h;xáë > 68 3B 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EBE1784490, 16 bytes long.
Data: <@;xáë > 40 3B 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EBE1783F90, 16 bytes long.
Data: < ;xáë > 18 3B 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EBE1784440, 16 bytes long.
Data: <ð:xáë > F0 3A 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EBE177E8A0, 16 bytes long.
Data: <È:xáë > C8 3A 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EBE177E850, 16 bytes long.
Data: < :xáë > A0 3A 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EBE177E800, 16 bytes long.
Data: <`¿wáë > 60 BF 77 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EBE177BF60, 40 bytes long.
Data: < èwáë száë > 00 E8 77 E1 EB 01 00 00 00 73 7A E1 EB 01 00 00
{258} normal block at 0x000001EBE177E760, 16 bytes long.
Data: < :xáë > 80 3A 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001EBE177E620, 16 bytes long.
Data: <X:xáë > 58 3A 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001EBE177DCA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001EBE177E4E0, 16 bytes long.
Data: <0:xáë > 30 3A 78 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001EBE1783A30, 992 bytes long.
Data: <àäwáë  Üwáë > E0 E4 77 E1 EB 01 00 00 A0 DC 77 E1 EB 01 00 00
{90} normal block at 0x000001EBE177DD60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001EBE177E2B0, 16 bytes long.
Data: <À¼wáë > C0 BC 77 E1 EB 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001EBE177BCC0, 40 bytes long.
Data: <°âwáë `Ýwáë > B0 E2 77 E1 EB 01 00 00 60 DD 77 E1 EB 01 00 00
{67} normal block at 0x000001EBE177E490, 16 bytes long.
Data: < ê[ÿ÷ > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EBE177E670, 16 bytes long.
Data: <@é[ÿ÷ > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EBE177E3A0, 16 bytes long.
Data: <øWXÿ÷ > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EBE177E5D0, 16 bytes long.
Data: <ØWXÿ÷ > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EBE177E170, 16 bytes long.
Data: <P Xÿ÷ > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EBE177E580, 16 bytes long.
Data: <0 Xÿ÷ > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EBE177E710, 16 bytes long.
Data: <à Xÿ÷ > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EBE177E6C0, 16 bytes long.
Data: < Xÿ÷ > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001EBE177E530, 16 bytes long.
Data: <p Xÿ÷ > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001EBE177E350, 16 bytes long.
Data: < ÀVÿ÷ > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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