Task 38698869
| Name | test_634-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7134_0 |
| Workunit | 31639338 |
| Created | 3 Nov 2026, 5:24:40 UTC |
| Sent | 3 Nov 2026, 5:24:45 UTC |
| Report deadline | 8 Nov 2026, 5:24:45 UTC |
| Received | 3 Nov 2026, 6:28:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653255 |
| Run time | 31 min 21 sec |
| CPU time | 31 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,847.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.79 MB |
| Peak swap size | 9.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
21:52:41 (16572): wrapper (7.9.26016): starting
21:52:41 (16572): 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
21:52:42 (16572): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:52:42 (16572): 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 'E:\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 'E:\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835161} normal block at 0x000001436854FF10, 8 bytes long.
Data: < hC > 00 00 AE 68 43 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001436862EAD0, 1080 bytes long.
Data: < X > 84 A0 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001436854CA70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:24:43 (11628): wrapper (7.9.26016): starting
22:24:43 (11628): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Boinc\slots\0\tmp already exists.
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
22:27:51 (11628): C:/Windows/system32/cmd.exe exited; CPU time 155.750000
22:27:51 (11628): 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: 3882090 bytes.
Dumping objects ->
{1590} normal block at 0x0000023DDDEF54F0, 48 bytes long.
Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C
{1579} normal block at 0x0000023DDDEEF4A0, 32 bytes long.
Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C
{1568} normal block at 0x0000023DDDEF0100, 32 bytes long.
Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{1557} normal block at 0x0000023DDDEF00A0, 32 bytes long.
Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C
{1546} normal block at 0x0000023DDDEF0040, 32 bytes long.
Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C
{1515} normal block at 0x0000023DDDEF53A0, 48 bytes long.
Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C
..\api\boinc_api.cpp(309) : {1502} normal block at 0x0000023DDDEF68A0, 8 bytes long.
Data: < = > 00 00 EB DD 3D 02 00 00
{310} normal block at 0x0000023DDDEF6850, 8 bytes long.
Data: < n = > C0 6E EF DD 3D 02 00 00
{301} normal block at 0x0000023DDDEE7030, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000023DDDEF6800, 16 bytes long.
Data: < m = > C8 6D EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000023DDDEF6760, 16 bytes long.
Data: < m = > A0 6D EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000023DDDEEFF20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000023DDDEF6170, 16 bytes long.
Data: <xm = > 78 6D EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023DDDEF5E00, 16 bytes long.
Data: <Pm = > 50 6D EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023DDDEF5BD0, 16 bytes long.
Data: <(m = > 28 6D EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023DDDEF5CC0, 16 bytes long.
Data: < m = > 00 6D EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023DDDEF5410, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000023DDDEF5EA0, 16 bytes long.
Data: < = > 18 94 EE DD 3D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023DDDEEFBC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000023DDDEF5D60, 16 bytes long.
Data: < = > F0 93 EE DD 3D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023DDDEF6A30, 16 bytes long.
Data: < = > C8 93 EE DD 3D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023DDDEF6710, 16 bytes long.
Data: < = > A0 93 EE DD 3D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023DDDEF5DB0, 16 bytes long.
Data: <x = > 78 93 EE DD 3D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023DDDEF6990, 16 bytes long.
Data: <P = > 50 93 EE DD 3D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023DDDEF6300, 16 bytes long.
Data: <( = > 28 93 EE DD 3D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023DDDEEF860, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000023DDDEF69E0, 16 bytes long.
Data: < = > 00 93 EE DD 3D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023DDDEE9300, 320 bytes long.
Data: < i = ` = > E0 69 EF DD 3D 02 00 00 60 F8 EE DD 3D 02 00 00
{280} normal block at 0x0000023DDDEF5C70, 16 bytes long.
Data: < l = > E0 6C EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023DDDEF5B30, 16 bytes long.
Data: < l = > B8 6C EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023DDDEEF800, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000023DDDEF67B0, 16 bytes long.
Data: < l = > 90 6C EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023DDDEEFFE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000023DDDEF66C0, 16 bytes long.
Data: < k = > D8 6B EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023DDDEF6030, 16 bytes long.
Data: < k = > B0 6B EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023DDDEF5AE0, 16 bytes long.
Data: < k = > 88 6B EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023DDDEF63A0, 16 bytes long.
Data: <`k = > 60 6B EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023DDDEF62B0, 16 bytes long.
Data: <8k = > 38 6B EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023DDDEF64E0, 16 bytes long.
Data: < k = > 10 6B EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023DDDEF6260, 16 bytes long.
Data: < T = > 80 54 EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023DDDEF5480, 40 bytes long.
Data: <`b = S = > 60 62 EF DD 3D 02 00 00 A0 53 EF DD 3D 02 00 00
{266} normal block at 0x0000023DDDEF65D0, 16 bytes long.
Data: < j = > F0 6A EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023DDDEF63F0, 16 bytes long.
Data: < j = > C8 6A EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023DDDEEFCE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000023DDDEF5C20, 16 bytes long.
Data: < j = > A0 6A EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023DDDEF6AA0, 992 bytes long.
Data: < \ = = > 20 5C EF DD 3D 02 00 00 E0 FC EE DD 3D 02 00 00
{98} normal block at 0x0000023DDDEEFD40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000023DDDEEDD90, 16 bytes long.
Data: <0S = > 30 53 EF DD 3D 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000023DDDEF5330, 40 bytes long.
Data: < = @ = > 90 DD EE DD 3D 02 00 00 40 FD EE DD 3D 02 00 00
{75} normal block at 0x0000023DDDEEDCA0, 16 bytes long.
Data: < 5 > 80 EA 09 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000023DDDEEE1A0, 16 bytes long.
Data: <@ 5 > 40 E9 09 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000023DDDEEDF20, 16 bytes long.
Data: < W 5 > F8 57 06 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000023DDDEEE470, 16 bytes long.
Data: < W 5 > D8 57 06 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023DDDEEE240, 16 bytes long.
Data: <P 5 > 50 04 06 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023DDDEEE100, 16 bytes long.
Data: <0 5 > 30 04 06 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023DDDEEE330, 16 bytes long.
Data: < 5 > E0 02 06 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023DDDEEE150, 16 bytes long.
Data: < 5 > 10 04 06 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023DDDEEE0B0, 16 bytes long.
Data: <p 5 > 70 04 06 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023DDDEEE060, 16 bytes long.
Data: < 5 > 18 C0 04 35 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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