Task 38647040

Name test_907-GPUGRID_TEST_ATM_1000_20261023-0-1-RND7196_1
Workunit 31591744
Created 23 Oct 2026, 18:12:44 UTC
Sent 23 Oct 2026, 18:28:12 UTC
Report deadline 28 Oct 2026, 18:28:12 UTC
Received 23 Oct 2026, 20:53:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654792
Run time 18 min 6 sec
CPU time 15 min 49 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.65 MB
Peak swap size 6.99 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:35:04 (33052): wrapper (7.9.26016): starting
22:35:04 (33052): 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
22:35:05 (33052): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:35:05 (33052): 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 'F:\Festplattenpogramme\Boinc\Boincy\slots\16\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 'F:\Festplattenpogramme\Boinc\Boincy\slots\16\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
22:52:48 (33052): C:/Windows/system32/cmd.exe exited; CPU time 949.203125
22:52:48 (33052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
352 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: 23889309 bytes.
Dumping objects ->
{3835575} normal block at 0x000002807D49B780, 64 bytes long.
 Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835564} normal block at 0x000002807D49AC00, 64 bytes long.
 Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835553} normal block at 0x000002807D49B100, 64 bytes long.
 Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74 
{3835542} normal block at 0x000002807D49C600, 64 bytes long.
 Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835531} normal block at 0x000002807D49BE80, 64 bytes long.
 Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C 
{3835500} normal block at 0x000002807B6E7200, 80 bytes long.
 Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
..\api\boinc_api.cpp(309) : {3835487} normal block at 0x000002807B6EEAC0, 8 bytes long.
 Data: <  &#191;{    > 00 00 BF 7B 80 02 00 00 
{3833957} normal block at 0x000002807B6EE890, 8 bytes long.
 Data: <`&#219;|{    > 60 DB 7C 7B 80 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002807B6F12B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002807B6E6FC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002807B6F58E0, 16 bytes long.
 Data: <Hdo{            > 48 64 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002807B6F54D0, 16 bytes long.
 Data: < do{            > 20 64 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002807B6EFF80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002807B6F60B0, 16 bytes long.
 Data: <&#248;co{            > F8 63 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002807B6F5F20, 16 bytes long.
 Data: <&#208;co{            > D0 63 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002807B6F5750, 16 bytes long.
 Data: <&#168;co{            > A8 63 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002807B6F5340, 16 bytes long.
 Data: < co{            > 80 63 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002807B6F4B70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002807B6F5700, 16 bytes long.
 Data: < &#228;n{            > 98 E4 6E 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002807B6F0340, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002807B6F5520, 16 bytes long.
 Data: <p&#228;n{            > 70 E4 6E 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002807B6F5890, 16 bytes long.
 Data: <H&#228;n{            > 48 E4 6E 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002807B6F56B0, 16 bytes long.
 Data: < &#228;n{            > 20 E4 6E 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002807B6F6060, 16 bytes long.
 Data: <&#248;&#227;n{            > F8 E3 6E 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002807B6F55C0, 16 bytes long.
 Data: <&#208;&#227;n{            > D0 E3 6E 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002807B6F5ED0, 16 bytes long.
 Data: <&#168;&#227;n{            > A8 E3 6E 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002807B6EFF20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002807B6F5840, 16 bytes long.
 Data: < &#227;n{            > 80 E3 6E 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002807B6EE380, 320 bytes long.
 Data: <@Xo{     &#255;n{    > 40 58 6F 7B 80 02 00 00 20 FF 6E 7B 80 02 00 00 
{274} normal block at 0x000002807B6F5FC0, 16 bytes long.
 Data: <`co{            > 60 63 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002807B6F51B0, 16 bytes long.
 Data: <8co{            > 38 63 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002807B6EF920, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002807B6F5E80, 16 bytes long.
 Data: < co{            > 10 63 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002807B6EFEC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002807B6F5610, 16 bytes long.
 Data: <Xbo{            > 58 62 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002807B6F52F0, 16 bytes long.
 Data: <0bo{            > 30 62 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002807B6F59D0, 16 bytes long.
 Data: < bo{            > 08 62 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002807B6F5CF0, 16 bytes long.
 Data: <&#224;ao{            > E0 61 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002807B6F57F0, 16 bytes long.
 Data: <&#184;ao{            > B8 61 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002807B6F5E30, 16 bytes long.
 Data: < ao{            > 90 61 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002807B6F6010, 16 bytes long.
 Data: <&#192;Eo{            > C0 45 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002807B6F45C0, 40 bytes long.
 Data: < `o{     rn{    > 10 60 6F 7B 80 02 00 00 00 72 6E 7B 80 02 00 00 
{260} normal block at 0x000002807B6F5660, 16 bytes long.
 Data: <pao{            > 70 61 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002807B6F5480, 16 bytes long.
 Data: <Hao{            > 48 61 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002807B6EFD40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002807B6F5430, 16 bytes long.
 Data: < ao{            > 20 61 6F 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002807B6F6120, 992 bytes long.
 Data: <0To{    @&#253;n{    > 30 54 6F 7B 80 02 00 00 40 FD 6E 7B 80 02 00 00 
{92} normal block at 0x000002807B6EF8C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002807B6EE840, 16 bytes long.
 Data: <@&#215;m{            > 40 D7 6D 7B 80 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002807B6DD740, 40 bytes long.
 Data: <@&#232;n{    &#192;&#248;n{    > 40 E8 6E 7B 80 02 00 00 C0 F8 6E 7B 80 02 00 00 
{69} normal block at 0x000002807B6EE750, 16 bytes long.
 Data: < &#234;#&#180;&#247;           > 80 EA 23 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002807B6EE7A0, 16 bytes long.
 Data: <@&#233;#&#180;&#247;           > 40 E9 23 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002807B6EE7F0, 16 bytes long.
 Data: <&#248;W &#180;&#247;           > F8 57 20 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002807B6EE700, 16 bytes long.
 Data: <&#216;W &#180;&#247;           > D8 57 20 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002807B6EE6B0, 16 bytes long.
 Data: <P  &#180;&#247;           > 50 04 20 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002807B6EF510, 16 bytes long.
 Data: <0  &#180;&#247;           > 30 04 20 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002807B6EE660, 16 bytes long.
 Data: <&#224;  &#180;&#247;           > E0 02 20 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002807B6EE610, 16 bytes long.
 Data: <   &#180;&#247;           > 10 04 20 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002807B6EEC00, 16 bytes long.
 Data: <p  &#180;&#247;           > 70 04 20 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002807B6EEA70, 16 bytes long.
 Data: < &#192; &#180;&#247;           > 18 C0 1E B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra