Task 38681701
| Name | test_686-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND9541_0 |
| Workunit | 31623356 |
| Created | 27 Oct 2026, 5:01:56 UTC |
| Sent | 27 Oct 2026, 5:02:05 UTC |
| Report deadline | 1 Nov 2026, 5:02:05 UTC |
| Received | 27 Oct 2026, 5:33:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648831 |
| Run time | 27 min 39 sec |
| CPU time | 24 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.56 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:57:00 (26012): wrapper (7.9.26016): starting
13:57:00 (26012): 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
13:57:02 (26012): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:57:02 (26012): 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\28\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\28\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.
tar: r0/checkpoint.xml: time stamp 2026-10-27 14:00:34 is 198.5206815 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-27 14:00:35 is 199.0901466 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-27 14:00:44 is 207.653774 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-27 14:00:46 is 209.2117323 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-27 14:00:47 is 209.750845 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-27 14:00:48 is 210.3073646 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-27 14:00:49 is 210.8527337 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-27 14:00:50 is 211.3035173 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-27 14:00:51 is 211.7289456 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-27 14:00:52 is 212.2082696 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-27 14:00:53 is 212.6946949 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-27 14:00:54 is 213.2745103 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-27 14:00:36 is 194.7436683 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-27 14:00:55 is 213.1646026 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-27 14:00:56 is 213.5417384 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-27 14:00:37 is 193.9686277 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-27 14:00:38 is 194.447263 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-27 14:00:39 is 194.818798 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-27 14:00:40 is 195.2621146 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-27 14:00:41 is 195.6472706 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-27 14:00:42 is 196.0690962 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-27 14:00:43 is 196.5766436 s in the future
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
14:22:58 (26012): C:/Windows/system32/cmd.exe exited; CPU time 1469.750000
14:22:58 (26012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 27517121 bytes.
Dumping objects ->
{3835368} normal block at 0x000002EF3E55D6B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835357} normal block at 0x000002EF3E55DE20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835346} normal block at 0x000002EF3E55DDB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835335} normal block at 0x000002EF3E55D4F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835324} normal block at 0x000002EF3E55E2F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835293} normal block at 0x000002EF4054D4D0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835282} normal block at 0x000002EF40562530, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835279} normal block at 0x000002EF3E52E350, 8 bytes long.
Data: < N> > 00 00 4E 3E EF 02 00 00
{3834663} normal block at 0x000002EF40562060, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834061} normal block at 0x000002EF3E52EB20, 8 bytes long.
Data: <`ÛQ> > 60 DB 51 3E EF 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002EF3E5293F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002EF3E5219D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002EF3E53A2F0, 16 bytes long.
Data: <(³S> > 28 B3 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002EF3E53A2A0, 16 bytes long.
Data: < ³S> > 00 B3 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002EF3E535F70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002EF3E53A250, 16 bytes long.
Data: <زS> > D8 B2 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002EF3E53A660, 16 bytes long.
Data: <°²S> > B0 B2 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002EF3E53A5C0, 16 bytes long.
Data: < ²S> > 88 B2 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002EF3E539F80, 16 bytes long.
Data: <`²S> > 60 B2 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002EF3E534A80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002EF3E539EE0, 16 bytes long.
Data: <( S> > 28 9D 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002EF3E5361B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002EF3E53AB10, 16 bytes long.
Data: < S> > 00 9D 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002EF3E53A4D0, 16 bytes long.
Data: <Ø S> > D8 9C 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002EF3E53A8E0, 16 bytes long.
Data: <° S> > B0 9C 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002EF3E539FD0, 16 bytes long.
Data: < S> > 88 9C 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002EF3E53AD40, 16 bytes long.
Data: <` S> > 60 9C 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002EF3E53AAC0, 16 bytes long.
Data: <8 S> > 38 9C 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002EF3E5366F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002EF3E53ACA0, 16 bytes long.
Data: < S> > 10 9C 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002EF3E539C10, 320 bytes long.
Data: < ¬S> fS> > A0 AC 53 3E EF 02 00 00 F0 66 53 3E EF 02 00 00
{277} normal block at 0x000002EF3E539F30, 16 bytes long.
Data: <@²S> > 40 B2 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002EF3E53AC50, 16 bytes long.
Data: < ²S> > 18 B2 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002EF3E536690, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002EF3E53A890, 16 bytes long.
Data: < ±S> > F0 B1 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002EF3E535C70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002EF3E53AA70, 16 bytes long.
Data: <8±S> > 38 B1 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002EF3E53A9D0, 16 bytes long.
Data: < ±S> > 10 B1 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002EF3E53A0C0, 16 bytes long.
Data: < °S> > E8 B0 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002EF3E53AA20, 16 bytes long.
Data: <À°S> > C0 B0 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002EF3E53A480, 16 bytes long.
Data: < °S> > 98 B0 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002EF3E53A340, 16 bytes long.
Data: <p°S> > 70 B0 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002EF3E53A980, 16 bytes long.
Data: <pGS> > 70 47 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002EF3E534770, 40 bytes long.
Data: < ©S> ÐÔT@ > 80 A9 53 3E EF 02 00 00 D0 D4 54 40 EF 02 00 00
{263} normal block at 0x000002EF3E53AC00, 16 bytes long.
Data: <P°S> > 50 B0 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002EF3E53ABB0, 16 bytes long.
Data: <(°S> > 28 B0 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002EF3E5365D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002EF3E53A610, 16 bytes long.
Data: < °S> > 00 B0 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002EF3E53B000, 992 bytes long.
Data: < ¦S> ÐeS> > 10 A6 53 3E EF 02 00 00 D0 65 53 3E EF 02 00 00
{95} normal block at 0x000002EF3E535A90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002EF3E52E8A0, 16 bytes long.
Data: <`DS> > 60 44 53 3E EF 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002EF3E534460, 40 bytes long.
Data: < R> ZS> > A0 E8 52 3E EF 02 00 00 90 5A 53 3E EF 02 00 00
{70} normal block at 0x000002EF3E52EAD0, 16 bytes long.
Data: < ; > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002EF3E52E5D0, 16 bytes long.
Data: <@ ; > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002EF3E52E030, 16 bytes long.
Data: < W ; > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002EF3E52E760, 16 bytes long.
Data: <ØW ; > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002EF3E52E7B0, 16 bytes long.
Data: <P ; > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002EF3E52DEA0, 16 bytes long.
Data: <0 ; > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002EF3E52E800, 16 bytes long.
Data: < ; > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002EF3E52E260, 16 bytes long.
Data: < ; > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002EF3E52E120, 16 bytes long.
Data: <p ; > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002EF3E52EA30, 16 bytes long.
Data: < À : > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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