Task 38675146
| Name | test_436-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND2298_0 |
| Workunit | 31617143 |
| Created | 26 Oct 2026, 7:24:57 UTC |
| Sent | 26 Oct 2026, 7:24:58 UTC |
| Report deadline | 31 Oct 2026, 7:24:58 UTC |
| Received | 26 Oct 2026, 8:18:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647966 |
| Run time | 52 min 51 sec |
| CPU time | 50 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,771.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.64 MB |
| Peak swap size | 13.42 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:21:32 (8708): wrapper (7.9.26016): starting
14:21:32 (8708): 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
14:21:33 (8708): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:21:33 (8708): 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\35\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\35\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 2026-10-26 14:23:00 is 64.8951451 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-26 14:23:01 is 65.5714399 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-26 14:23:04 is 68.2464084 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-26 14:23:04 is 67.9243565 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-26 14:23:05 is 68.6005458 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-26 14:23:05 is 68.2727923 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-26 14:23:06 is 68.9530145 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-26 14:23:06 is 68.3003792 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-26 14:23:06 is 67.8531488 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-26 14:23:07 is 68.5230549 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-26 14:23:07 is 68.2004298 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-26 14:23:08 is 68.8781583 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-26 14:23:01 is 61.5551463 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-26 14:23:08 is 68.2362411 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-26 14:23:08 is 67.9172413 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-26 14:23:01 is 60.5970067 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-26 14:23:02 is 61.2906461 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-26 14:23:02 is 60.9690893 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-26 14:23:03 is 61.6415914 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-26 14:23:03 is 61.3198203 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-26 14:23:03 is 60.9991086 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-26 14:23:04 is 61.6858875 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
15:13:18 (8708): C:/Windows/system32/cmd.exe exited; CPU time 3029.796875
15:13:18 (8708): 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: 45262355 bytes.
Dumping objects ->
{3835242} normal block at 0x000002681932D700, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000002681932DEE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x000002681932DA80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835209} normal block at 0x000002681932DE00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x00000268175F4E80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835167} normal block at 0x000002681937C630, 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) : {3835154} normal block at 0x00000268175EB2C0, 8 bytes long.
Data: < Z h > 00 00 5A 17 68 02 00 00
{3833985} normal block at 0x00000268175EBB30, 8 bytes long.
Data: < T@ h > 20 54 40 19 68 02 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x00000268175F2DF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x00000268175E7120, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{308} normal block at 0x00000268175F71C0, 16 bytes long.
Data: <Ø|_ h > D8 7C 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000268175F73F0, 16 bytes long.
Data: <°|_ h > B0 7C 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x00000268175EF440, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{305} normal block at 0x00000268175F6E00, 16 bytes long.
Data: < |_ h > 88 7C 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000268175F7580, 16 bytes long.
Data: <`|_ h > 60 7C 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000268175F7170, 16 bytes long.
Data: <8|_ h > 38 7C 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000268175F6DB0, 16 bytes long.
Data: < |_ h > 10 7C 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000268175F4B70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{300} normal block at 0x00000268175F6EA0, 16 bytes long.
Data: <Øþ] h > D8 FE 5D 17 68 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000268175EF5C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{298} normal block at 0x00000268175F7530, 16 bytes long.
Data: <°þ] h > B0 FE 5D 17 68 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000268175F78A0, 16 bytes long.
Data: < þ] h > 88 FE 5D 17 68 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000268175F7350, 16 bytes long.
Data: <`þ] h > 60 FE 5D 17 68 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000268175F72B0, 16 bytes long.
Data: <8þ] h > 38 FE 5D 17 68 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000268175F7490, 16 bytes long.
Data: < þ] h > 10 FE 5D 17 68 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000268175F74E0, 16 bytes long.
Data: <èý] h > E8 FD 5D 17 68 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000268175EFD40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{290} normal block at 0x00000268175F7120, 16 bytes long.
Data: <Àý] h > C0 FD 5D 17 68 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000268175DFDC0, 320 bytes long.
Data: < q_ h @ý^ h > 20 71 5F 17 68 02 00 00 40 FD 5E 17 68 02 00 00
{288} normal block at 0x00000268175F7670, 16 bytes long.
Data: <ð{_ h > F0 7B 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000268175F6A40, 16 bytes long.
Data: <È{_ h > C8 7B 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000268175EF380, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{285} normal block at 0x00000268175F7210, 16 bytes long.
Data: < {_ h > A0 7B 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000268175EFCE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{283} normal block at 0x00000268175F70D0, 16 bytes long.
Data: <èz_ h > E8 7A 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000268175F7440, 16 bytes long.
Data: <Àz_ h > C0 7A 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000268175F6D10, 16 bytes long.
Data: < z_ h > 98 7A 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000268175F7080, 16 bytes long.
Data: <pz_ h > 70 7A 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000268175F76C0, 16 bytes long.
Data: <Hz_ h > 48 7A 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000268175F6B80, 16 bytes long.
Data: < z_ h > 20 7A 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000268175F6C70, 16 bytes long.
Data: <`O_ h > 60 4F 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000268175F4F60, 40 bytes long.
Data: <pl_ h 0Æ7 h > 70 6C 5F 17 68 02 00 00 30 C6 37 19 68 02 00 00
{274} normal block at 0x00000268175F7260, 16 bytes long.
Data: < z_ h > 00 7A 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000268175F6CC0, 16 bytes long.
Data: <Øy_ h > D8 79 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000268175EFC20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{271} normal block at 0x00000268175F69F0, 16 bytes long.
Data: <°y_ h > B0 79 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000268175F79B0, 992 bytes long.
Data: <ði_ h ü^ h > F0 69 5F 17 68 02 00 00 20 FC 5E 17 68 02 00 00
{106} normal block at 0x00000268175EF920, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{105} normal block at 0x00000268175EBBD0, 16 bytes long.
Data: <pR_ h > 70 52 5F 17 68 02 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x00000268175F5270, 40 bytes long.
Data: <л^ h ù^ h > D0 BB 5E 17 68 02 00 00 20 F9 5E 17 68 02 00 00
{83} normal block at 0x00000268175EB360, 16 bytes long.
Data: < êž"ö > 80 EA 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000268175EB4A0, 16 bytes long.
Data: <@éž"ö > 40 E9 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000268175EBAE0, 16 bytes long.
Data: <øW›"ö > F8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000268175EB950, 16 bytes long.
Data: <ØW›"ö > D8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000268175EB7C0, 16 bytes long.
Data: <P ›"ö > 50 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000268175EB400, 16 bytes long.
Data: <0 ›"ö > 30 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000268175EB630, 16 bytes long.
Data: <à ›"ö > E0 02 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000268175EB810, 16 bytes long.
Data: < ›"ö > 10 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000268175EB270, 16 bytes long.
Data: <p ›"ö > 70 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000268175EB770, 16 bytes long.
Data: < À "ö > 18 C0 99 22 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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