Task 38684516

Name test_405-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1637_1
Workunit 31626011
Created 27 Oct 2026, 16:45:52 UTC
Sent 27 Oct 2026, 16:46:03 UTC
Report deadline 1 Nov 2026, 16:46:03 UTC
Received 27 Oct 2026, 19:18:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628418
Run time 39 min 46 sec
CPU time 39 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.42 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:30:40 (7612): wrapper (7.9.26016): starting
18:30:40 (7612): 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
18:30:41 (7612): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:30:41 (7612): 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 'D:\BOINC_DATA\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 'D:\BOINC_DATA\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.
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
19:09:16 (7612): C:/Windows/system32/cmd.exe exited; CPU time 2372.312500
19:09:16 (7612): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 37186461 bytes.
Dumping objects ->
{3835248} normal block at 0x0000027F49EF2670, 48 bytes long.
 Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835237} normal block at 0x0000027F49EB5960, 32 bytes long.
 Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835226} normal block at 0x0000027F49EB4820, 32 bytes long.
 Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54 
{3835215} normal block at 0x0000027F49EB5660, 32 bytes long.
 Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835204} normal block at 0x0000027F49EB47C0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F 
{3835173} normal block at 0x0000027F49EF2FA0, 48 bytes long.
 Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835162} normal block at 0x0000027F48128CA0, 200 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) : {3835159} normal block at 0x0000027F48126D40, 8 bytes long.
 Data: <  &#181;I    > 00 00 B5 49 7F 02 00 00 
{3834561} normal block at 0x0000027F48129960, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000027F48127600, 8 bytes long.
 Data: < &#171; H    > 00 AB 11 48 7F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027F48131E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027F48127F60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000027F48133880, 16 bytes long.
 Data: <x@ H            > 78 40 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027F48133150, 16 bytes long.
 Data: <P@ H            > 50 40 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027F4812BB10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000027F48133790, 16 bytes long.
 Data: <(@ H            > 28 40 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027F48133060, 16 bytes long.
 Data: < @ H            > 00 40 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027F48133010, 16 bytes long.
 Data: <&#216;? H            > D8 3F 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027F481334C0, 16 bytes long.
 Data: <&#176;? H            > B0 3F 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027F4812D770, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000027F48133830, 16 bytes long.
 Data: <&#168;&#210; H            > A8 D2 12 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027F4812B8D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000027F48133290, 16 bytes long.
 Data: < &#210; H            > 80 D2 12 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027F48133600, 16 bytes long.
 Data: <X&#210; H            > 58 D2 12 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027F481330B0, 16 bytes long.
 Data: <0&#210; H            > 30 D2 12 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027F48133BF0, 16 bytes long.
 Data: < &#210; H            > 08 D2 12 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027F48133B00, 16 bytes long.
 Data: <&#224;&#209; H            > E0 D1 12 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027F48133AB0, 16 bytes long.
 Data: <&#184;&#209; H            > B8 D1 12 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027F4812BF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000027F48132FC0, 16 bytes long.
 Data: < &#209; H            > 90 D1 12 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027F4812D190, 320 bytes long.
 Data: <&#192;/ H     &#191; H    > C0 2F 13 48 7F 02 00 00 90 BF 12 48 7F 02 00 00 
{276} normal block at 0x0000027F48133B50, 16 bytes long.
 Data: < ? H            > 90 3F 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027F48133A60, 16 bytes long.
 Data: <h? H            > 68 3F 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027F4812B9F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000027F48133100, 16 bytes long.
 Data: <@? H            > 40 3F 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027F4812C650, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000027F48132F70, 16 bytes long.
 Data: < > H            > 88 3E 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027F48133240, 16 bytes long.
 Data: <`> H            > 60 3E 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027F481339C0, 16 bytes long.
 Data: <8> H            > 38 3E 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027F481335B0, 16 bytes long.
 Data: < > H            > 10 3E 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027F48132ED0, 16 bytes long.
 Data: <&#232;= H            > E8 3D 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027F48132E80, 16 bytes long.
 Data: <&#192;= H            > C0 3D 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027F48132E30, 16 bytes long.
 Data: < &#221; H            > 90 DD 12 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027F4812DD90, 40 bytes long.
 Data: <0. H    &#160;/&#239;I    > 30 2E 13 48 7F 02 00 00 A0 2F EF 49 7F 02 00 00 
{262} normal block at 0x0000027F481331F0, 16 bytes long.
 Data: <&#160;= H            > A0 3D 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027F48132F20, 16 bytes long.
 Data: <x= H            > 78 3D 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027F4812C410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000027F48133970, 16 bytes long.
 Data: <P= H            > 50 3D 13 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027F48133D50, 992 bytes long.
 Data: <p9 H     &#196; H    > 70 39 13 48 7F 02 00 00 10 C4 12 48 7F 02 00 00 
{94} normal block at 0x0000027F4812C350, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000027F48126CF0, 16 bytes long.
 Data: <&#224;&#215; H            > E0 D7 12 48 7F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000027F4812D7E0, 40 bytes long.
 Data: <&#240;l H    P&#195; H    > F0 6C 12 48 7F 02 00 00 50 C3 12 48 7F 02 00 00 
{71} normal block at 0x0000027F48127330, 16 bytes long.
 Data: < &#234;#c&#247;           > 80 EA 23 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027F48126B10, 16 bytes long.
 Data: <@&#233;#c&#247;           > 40 E9 23 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027F481276A0, 16 bytes long.
 Data: <&#248;W c&#247;           > F8 57 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027F48127830, 16 bytes long.
 Data: <&#216;W c&#247;           > D8 57 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027F48126E80, 16 bytes long.
 Data: <P  c&#247;           > 50 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027F481272E0, 16 bytes long.
 Data: <0  c&#247;           > 30 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027F48127060, 16 bytes long.
 Data: <&#224;  c&#247;           > E0 02 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027F48126AC0, 16 bytes long.
 Data: <   c&#247;           > 10 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027F48126D90, 16 bytes long.
 Data: <p  c&#247;           > 70 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027F481271F0, 16 bytes long.
 Data: < &#192; c&#247;           > 18 C0 1E 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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