Task 38672569
| Name | test_311-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8266_1 |
| Workunit | 31614165 |
| Created | 25 Oct 2026, 23:49:11 UTC |
| Sent | 25 Oct 2026, 23:49:21 UTC |
| Report deadline | 30 Oct 2026, 23:49:21 UTC |
| Received | 26 Oct 2026, 0:42:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647966 |
| Run time | 51 min 31 sec |
| CPU time | 49 min 51 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 | 747.39 MB |
| Peak swap size | 13.41 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:45:59 (7560): wrapper (7.9.26016): starting
06:45:59 (7560): 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
06:46:00 (7560): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:46:00 (7560): 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\37\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\37\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
07:36:24 (7560): C:/Windows/system32/cmd.exe exited; CPU time 2991.187500
07:36:24 (7560): 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: 49248423 bytes.
Dumping objects ->
{3835242} normal block at 0x000001B1188FD690, 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 0x000001B1188FDD20, 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 0x000001B1188FDCB0, 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 0x000001B1188FDF50, 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 0x000001B116B35270, 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 0x000001B11894A330, 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 0x000001B116B2B900, 8 bytes long.
Data: < ± > 00 00 02 17 B1 01 00 00
{3833985} normal block at 0x000001B116B2B270, 8 bytes long.
Data: < T ± > 20 54 9D 18 B1 01 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001B116B32B70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000001B116B27510, 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 0x000001B116B36D60, 16 bytes long.
Data: <Ø|³ ± > D8 7C B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001B116B37940, 16 bytes long.
Data: <°|³ ± > B0 7C B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001B116B2FBC0, 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 0x000001B116B36CC0, 16 bytes long.
Data: < |³ ± > 88 7C B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001B116B36C70, 16 bytes long.
Data: <`|³ ± > 60 7C B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001B116B373A0, 16 bytes long.
Data: <8|³ ± > 38 7C B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001B116B369F0, 16 bytes long.
Data: < |³ ± > 10 7C B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001B116B34D30, 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 0x000001B116B37350, 16 bytes long.
Data: <Øþ± ± > D8 FE B1 16 B1 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B116B2F4A0, 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 0x000001B116B36FE0, 16 bytes long.
Data: <°þ± ± > B0 FE B1 16 B1 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B116B37800, 16 bytes long.
Data: < þ± ± > 88 FE B1 16 B1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B116B37300, 16 bytes long.
Data: <`þ± ± > 60 FE B1 16 B1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B116B36F40, 16 bytes long.
Data: <8þ± ± > 38 FE B1 16 B1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B116B37260, 16 bytes long.
Data: < þ± ± > 10 FE B1 16 B1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B116B37120, 16 bytes long.
Data: <èý± ± > E8 FD B1 16 B1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B116B2FF80, 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 0x000001B116B36B80, 16 bytes long.
Data: <Àý± ± > C0 FD B1 16 B1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B116B1FDC0, 320 bytes long.
Data: < k³ ± ÿ² ± > 80 6B B3 16 B1 01 00 00 80 FF B2 16 B1 01 00 00
{288} normal block at 0x000001B116B37620, 16 bytes long.
Data: <ð{³ ± > F0 7B B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B116B375D0, 16 bytes long.
Data: <È{³ ± > C8 7B B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B116B2FF20, 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 0x000001B116B370D0, 16 bytes long.
Data: < {³ ± > A0 7B B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B116B2F560, 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 0x000001B116B37210, 16 bytes long.
Data: <èz³ ± > E8 7A B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B116B36EA0, 16 bytes long.
Data: <Àz³ ± > C0 7A B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B116B36D10, 16 bytes long.
Data: < z³ ± > 98 7A B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B116B372B0, 16 bytes long.
Data: <pz³ ± > 70 7A B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B116B36C20, 16 bytes long.
Data: <Hz³ ± > 48 7A B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B116B37080, 16 bytes long.
Data: < z³ ± > 20 7A B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B116B37530, 16 bytes long.
Data: < Q³ ± > 90 51 B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B116B35190, 40 bytes long.
Data: <0u³ ± 0£” ± > 30 75 B3 16 B1 01 00 00 30 A3 94 18 B1 01 00 00
{274} normal block at 0x000001B116B37580, 16 bytes long.
Data: < z³ ± > 00 7A B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B116B36DB0, 16 bytes long.
Data: <Øy³ ± > D8 79 B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B116B2FEC0, 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 0x000001B116B36A90, 16 bytes long.
Data: <°y³ ± > B0 79 B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B116B379B0, 992 bytes long.
Data: < j³ ± Àþ² ± > 90 6A B3 16 B1 01 00 00 C0 FE B2 16 B1 01 00 00
{106} normal block at 0x000001B116B2FB00, 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 0x000001B116B2B310, 16 bytes long.
Data: <PL³ ± > 50 4C B3 16 B1 01 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x000001B116B34C50, 40 bytes long.
Data: < ³² ± û² ± > 10 B3 B2 16 B1 01 00 00 00 FB B2 16 B1 01 00 00
{83} normal block at 0x000001B116B2B720, 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 0x000001B116B2BD60, 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 0x000001B116B2BE50, 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 0x000001B116B2B5E0, 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 0x000001B116B2BC20, 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 0x000001B116B2B810, 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 0x000001B116B2B400, 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 0x000001B116B2C030, 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 0x000001B116B2B220, 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 0x000001B116B2B8B0, 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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